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    3-Nitroaniline
    CAS No.: 99-09-2 Formula: C6H6N2O2 Molecular Weight: 138.12400
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    3-Nitroaniline

    CAS No.: 99-09-2 Formula: C6H6N2O2 Molecular Weight: 138.12400
    Suppliers: All (34) China Suppliers (34) Price Available (10) Contractor (2)

    Description

    3-Nitroaniline, also known as 'meta'-nitroaniline and m-nitroaniline, is a non-volatile stable solid commonly used as a raw material for dyes. 3-Nitroaniline is an aniline carrying a nitro functional group in position 3. It is stable in neutral, acidic or alkaline solutions and is classified as "not readily biodegradable" with "low bioaccumulation potential" .
    It is used as a chemical intermediate for azo coupling component 17 and the dyes disperse yellow 5 and acid blue 29. The chemical is changed to other substances (dyestuffs and m-nitrophenol) during the dyeing process.

    Numbering system

    MDL number MFCD00007782
    EINECS number 202-729-1

    Properties

    Appearance & Physical State yellow powder
    Density 0.9011 (at 25/4oC)
    Boiling Point 306oC
    Melting Point 111-114oC
    Flash Point 196oC
    Refractive Index 1.595 (111oC)
    Water Solubility 1.25 g/L
    Stability Stable at room temperature in closed containers under normal storage and handling conditions.
    Storage Condition Keep away from sources of ignition. Store in a cool, dry, well-ventilated area away from incompatible substances.
    Vapor Pressure 1 mm Hg ( 119 °C)

    Safety Info

    RTECS BY6825000
    Hazard Class 6.1
    Safety Statements S28-S36/37-S45-S61
    HS Code 29214210
    WGK Germany 2
    Packing Group II
    RIDADR UN 1661
    Risk Statements R23/24/25; R33; R52/53
    Hazard Codes T
    SDS 1.0 Expand

    SDS 1.0

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    SAFETY DATA SHEETS

    According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

    Version: 1.0

    Creation Date: Aug 12, 2017

    Revision Date: Aug 12, 2017

    1.Identification

    1.1 GHS Product identifier

    Product name 3-Nitroaniline

    1.2 Other means of identification

    Product number -
    Other names 3-nitro-aniline

    1.3 Recommended use of the chemical and restrictions on use

    Identified uses For industry use only.
    Uses advised against no data available

    1.4 Supplier's details

    Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
    Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
    Xuhui District, Shanghai, China
    Telephone +86(21)64956998
    Fax +86(21)54365166

    1.5 Emergency phone number

    Emergency phone number +86-400-6021-666
    Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

    2.Hazard identification

    2.1 Classification of the substance or mixture

    Acute toxicity - Oral, Category 3

    Acute toxicity - Dermal, Category 3

    Acute toxicity - Inhalation, Category 3

    Specific target organ toxicity – repeated exposure, Category 2

    Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

    2.2 GHS label elements, including precautionary statements

    Pictogram(s)
    Signal word

    Danger

    Hazard statement(s)

    H301 Toxic if swallowed

    H311 Toxic in contact with skin

    H331 Toxic if inhaled

    H373 May cause damage to organs through prolonged or repeated exposure

    H412 Harmful to aquatic life with long lasting effects

    Precautionary statement(s)
    Prevention

    P264 Wash ... thoroughly after handling.

    P270 Do not eat, drink or smoke when using this product.

    P280 Wear protective gloves/protective clothing/eye protection/face protection.

    P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

    P271 Use only outdoors or in a well-ventilated area.

    P260 Do not breathe dust/fume/gas/mist/vapours/spray.

    P273 Avoid release to the environment.

    Response

    P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/…

    P321 Specific treatment (see ... on this label).

    P330 Rinse mouth.

    P302+P352 IF ON SKIN: Wash with plenty of water/...

    P312 Call a POISON CENTER/doctor/…if you feel unwell.

    P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

    P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

    P311 Call a POISON CENTER/doctor/…

    P314 Get medical advice/attention if you feel unwell.

    Storage

    P405 Store locked up.

    P403+P233 Store in a well-ventilated place. Keep container tightly closed.

    Disposal

    P501 Dispose of contents/container to ...

    2.3 Other hazards which do not result in classification

    none

    3.Composition/information on ingredients

    3.1 Substances

    Chemical name Common names and synonyms CAS number EC number Concentration
    3-Nitroaniline 3-Nitroaniline 99-09-2 none 100%

    4.First-aid measures

    4.1 Description of necessary first-aid measures

    General advice

    Consult a physician. Show this safety data sheet to the doctor in attendance.

    If inhaled

    Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.

    In case of skin contact

    Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

    In case of eye contact

    First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

    If swallowed

    Induce vomiting (ONLY IN CONSCIOUS PERSONS!). Refer for medical attention .

    4.2 Most important symptoms/effects, acute and delayed

    SYMPTOMS: Symptoms of exposure to this compound may include cyanosis and liver damage. When inhaled or ingested, this compound may cause headache, flushing of the face, difficult breathing, nausea, vomiting, weakness, drowsiness, irritability and dermatitis. Structurally similar chemicals may cause methemoglobinemia. ACUTE/CHRONIC HAZARDS: This chemical is a highly toxic irritant. It may be fatal if inhaled or swallowed. It causes eye and skin irritation. When heated to decomposition this compound emits toxic fumes of carbon monoxide, carbon dioxide and oxides of nitrogen.

    4.3 Indication of immediate medical attention and special treatment needed, if necessary

    INHALATION: Fresh air, rest. Artificial respiration if indicated. Refer for medical attention. SKIN: Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention. EYES: First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then take to a doctor.

    5.Fire-fighting measures

    5.1 Extinguishing media

    Suitable extinguishing media

    In case of fire: keep drums, etc., cool by spraying with water. Combat fire from a sheltered position. Powder, water spray, foam, carbon dioxide.

    5.2 Specific hazards arising from the chemical

    Flash point data for this chemical are not available; however, it is probably combustible.

    5.3 Special protective actions for fire-fighters

    Wear self-contained breathing apparatus for firefighting if necessary.

    6.Accidental release measures

    6.1 Personal precautions, protective equipment and emergency procedures

    Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

    6.2 Environmental precautions

    Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder.

    6.3 Methods and materials for containment and cleaning up

    1. Ventilate area of spill. 2. For small quantities, sweep onto paper or other suitable material, place in an appropriate container & burn in a safe place (such as a fume hood). Large quantities may be reclaimed; however, if this is not practical, dissolve in a flammable solvent (such as alcohol) & atomize in a suitable combustion chamber equipped with an appropriate effluent gas cleaning device. /Nitroaniline/

    7.Handling and storage

    7.1 Precautions for safe handling

    Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

    7.2 Conditions for safe storage, including any incompatibilities

    Separated from strong acids, strong oxidants, combustible substances, reducing agents and food and feedstuffs. Dry.Protect against physical damage to containers and prevent from moisture contacts.

    8.Exposure controls/personal protection

    8.1 Control parameters

    Occupational Exposure limit values

    no data available

    Biological limit values

    no data available

    8.2 Appropriate engineering controls

    Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

    8.3 Individual protection measures, such as personal protective equipment (PPE)

    Eye/face protection

    Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

    Skin protection

    Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

    Respiratory protection

    Wear dust mask when handling large quantities.

    Thermal hazards

    no data available

    9.Physical and chemical properties

    Physical state yellow powder
    Colour Yellow crystals from water
    Odour Burning sweet odor
    Melting point/ freezing point 111-114oC
    Boiling point or initial boiling point and boiling range 306oC
    Flammability Combustible. Many reactions may cause fire or explosion.
    Lower and upper explosion limit / flammability limit no data available
    Flash point 196oC
    Auto-ignition temperature no data available
    Decomposition temperature 306°C
    pH no data available
    Kinematic viscosity no data available
    Solubility In water:1.25 g/L
    Partition coefficient n-octanol/water (log value) log Kow = 1.37
    Vapour pressure 1 mm Hg ( 119 °C)
    Density and/or relative density 0.9011 (at 25/4oC)
    Relative vapour density no data available
    Particle characteristics no data available

    10.Stability and reactivity

    10.1 Reactivity

    no data available

    10.2 Chemical stability

    Stable under recommended storage conditions.

    10.3 Possibility of hazardous reactions

    Dust explosion possible if in powder or granular form, mixed with air.Thermal stability of this compound is reduced by various impurities. This compound may be sensitive to prolonged exposure to light. This compound may react explosively with ethylene oxide at 130°C. It is incompatible with acids (nitric, sulfuric), acid chlorides, acid anhydrides, chloroformates and strong oxidizing agents. . Unstable when heated.

    10.4 Conditions to avoid

    no data available

    10.5 Incompatible materials

    Possibly explosive reaction with ethylene oxide at 130°C.

    10.6 Hazardous decomposition products

    When heated to decomp it emits toxic fumes of /nitrogen oxides/.

    11.Toxicological information

    Acute toxicity

    • Oral: LD50 Rat oral, SD strain (M), 540 mg/kg
    • Inhalation: no data available
    • Dermal: no data available

    Skin corrosion/irritation

    no data available

    Serious eye damage/irritation

    no data available

    Respiratory or skin sensitization

    no data available

    Germ cell mutagenicity

    no data available

    Carcinogenicity

    no data available

    Reproductive toxicity

    no data available

    STOT-single exposure

    no data available

    STOT-repeated exposure

    no data available

    Aspiration hazard

    no data available

    12.Ecological information

    12.1 Toxicity

    • Toxicity to fish: LC50; Species: Danio rerio (Zebra danio, age 3 months, weight 200-350 mg); Conditions: freshwater, renewal, 26.5°C, pH 8.6, dissolved oxygen 85%; Concentration: 594 umol/L for 96 hr
    • Toxicity to daphnia and other aquatic invertebrates: EC50; Species: Daphnia magna (Water flea, 24 hr); Conditions: freshwater, static, 18-20°C, pH 8.0-8.3, dissolved oxygen 8.1-9.7 mg/L; Concentration: 6770 ug/L for 24 hr (95% confidence interval: 3990-11000 ug/L); Effect: intoxication, immobilization />98% purity
    • Toxicity to algae: no data available
    • Toxicity to microorganisms: no data available

    12.2 Persistence and degradability

    AEROBIC: The mono-nitroanilines were found to be markedly more resistant to biological degradation, as compared to aniline, using Warburg respirometer procedures(1). 3-Nitroaniline was determined to be non-biodegradable using the Japanese MITI protocol(2). No biodegradation of 3-nitroaniline (100 ppm) was observed in a 2-week period in the standard biodegradability test of the Japanese Ministry International Trade and Industry (MITI), a BOD test utilizing a mixed inoculum of activated sludge, sewage and surface water(3). No biodegradation of 3-nitroaniline was observed at concn of 25-30 ppm upon incubation with adapted activated sludge for 20 days(4). No degradation of 3-nitroaniline in a mineral salts solution, with a soil inoculum, occurred in 64 days(5). No biodegradation occurred over a 240 hr period in a respirometer study(6). Only limited biooxidation of 3-nitroaniline was observed in respirometric tests utilizing phenol-adapted bacteria(7). In a 60-day respirimeter test using sewage seed, no biodegradation of 3-nitroaniline (5 ppm) occured(8). However partial degradation was observed when the test solution was cross-seeded with microorganisms acclimated to 4-nitroaniline(8). Using the Zahn-Wellens test procedure, 3-nitroaniline was difficult to degrade as elimination was less than 20% over the 28 day incubation period(9). In another Zahn-Wellens test, no DOC removal occurred in 23 days of incubation(10). 3-Nitroaniline had a biodegradation rate of 0.026/h in river water giving a half-life of 27 hours, which was classified as poor degradation(11). A 5 day BOD at 20°C in Songhua river water was 6% for 3-nitroaniline(12).

    12.3 Bioaccumulative potential

    A 6-week bioconcentration study in carp obtained BCF values of 1.1-3.0 and <10 for concentrations of 3- nitroaniline of 0.5 and 0.05 mg/L, respectively(1). An aquarium study using carp fish found 3-nitroaniline to have a low bioaccumulation potential(2). A study using zebrafish experimentally determined the BCF for 3-nitroaniline to be 8.3(3). According to a classification scheme(4), these BCF values suggest bioconcentration in aquatic organisms is low(SRC).

    12.4 Mobility in soil

    Soil adsorption studies using four silt loam soils and a 2-hour adsorption period determined a mean log Kom of 1.70 which corresponds to a Koc of 87 for 3-nitroaniline(1). 3-Nitroaniline had a measured log Koc of 1.64 which corresponds to a Koc value of 44(2). According to a classification scheme(3), these Koc values suggest that 3-nitroaniline is expected to have very high to high mobility in soil(SRC). 3-Nitroaniline was found to have a Kd value of 3.5 L/kg in homoionic K+ Montmorillonite type soil(4). However, anilines are expected to bind strongly to humus or organic matter in soils due to the high reactivity of the aromatic amino group(5,6), suggesting that mobility may be much lower in some soils(SRC).

    12.5 Other adverse effects

    no data available

    13.Disposal considerations

    13.1 Disposal methods

    Product

    The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

    Contaminated packaging

    Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

    14.Transport information

    14.1 UN Number

    ADR/RID: UN1661 IMDG: UN1661 IATA: UN1661

    14.2 UN Proper Shipping Name

    ADR/RID: NITROANILINES (o-, m-, p-)
    IMDG: NITROANILINES (o-, m-, p-)
    IATA: NITROANILINES (o-, m-, p-)

    14.3 Transport hazard class(es)

    ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

    14.4 Packing group, if applicable

    ADR/RID: II IMDG: II IATA: II

    14.5 Environmental hazards

    ADR/RID: no IMDG: no IATA: no

    14.6 Special precautions for user

    no data available

    14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

    no data available

    15.Regulatory information

    15.1 Safety, health and environmental regulations specific for the product in question

    Chemical name Common names and synonyms CAS number EC number
    3-Nitroaniline 3-Nitroaniline 99-09-2 none
    European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
    EC Inventory Listed.
    United States Toxic Substances Control Act (TSCA) Inventory Listed.
    China Catalog of Hazardous chemicals 2015 Listed.
    New Zealand Inventory of Chemicals (NZIoC) Listed.
    Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
    Vietnam National Chemical Inventory Not Listed.
    Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

    16.Other information

    Information on revision

    Creation Date Aug 12, 2017
    Revision Date Aug 12, 2017

    Abbreviations and acronyms

    • CAS: Chemical Abstracts Service
    • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
    • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
    • IMDG: International Maritime Dangerous Goods
    • IATA: International Air Transportation Association
    • TWA: Time Weighted Average
    • STEL: Short term exposure limit
    • LC50: Lethal Concentration 50%
    • LD50: Lethal Dose 50%
    • EC50: Effective Concentration 50%

    References

    • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
    • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
    • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
    • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
    • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
    • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
    • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
    • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
    • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

    Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.
    MSDS Expand
    1H NMR : 90 MHz in CDCl3Expand

    NMR Spectrum 1H NMR : 90 MHz in CDCl3

    Collapse

    C6 H6 N2 O2 0.037 g : 0.5 ml CDCl3
    m-nitroaniline

    Assign. Shift(ppm)
    A 7.54
    B 7.48
    C 7.260
    D 6.947
    E 4.0

    J(A,B)=2.1HZ
    J(A,C)=7.8HZ
    J(A,D)=1.2HZ
    J(B,C)=0.6HZ
    J(B,D)=2.3HZ
    J(C,D)=7.9HZ

    IR : KBr discExpand
    Mass spectrum (electron ionization)Expand
    UV/Visible spectrumExpand

    GC Analysis

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