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    Phthalonitrile
    CAS No.: 91-15-6 Formula: C8H4N2 Molecular Weight: 128.13100
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    Phthalonitrile

    CAS No.: 91-15-6 Formula: C8H4N2 Molecular Weight: 128.13100
    Suppliers: All (136) China Suppliers (83) Price Available (23) Contractor (7)

    Description

    Phthalonitrile is an organic compound with the formula C6H4(CN)2, which is an off-white crystal solid at room temperature. It is a derivative of benzene, containing two adjacent nitrile groups. The compound has low solubility in water but is soluble in common organic solvents. The compound is used as a precursor to phthalocyanine and other pigments, fluorescent brighteners, and photographic sensitizers.

    Basic Info

    Numbering system

    EINECS number 202-044-8
    MDL number MFCD00001771

    Properties

    Appearance & Physical State off-white to tan powder
    Density 1.24
    Boiling Point 304.6oC at 760 mmHg
    Melting Point 138-142oC
    Flash Point 153.3oC
    Refractive Index 1.565
    Water Solubility 0.56 g/L (25 oC)
    Stability Stable. Incompatible with strong bases, strong acids, strong oxidizing agents, strong reducing agents.
    Storage Condition Keep container closed when not in use. Store in a cool, dry area away from incompatible substances.

    Safety Info

    RTECS TI8575000
    Hazard Class 6.1
    Safety Statements S28-S36/37/39-S45
    HS Code 2926909090
    WGK Germany 1
    Packing Group II
    RIDADR UN 3439
    Risk Statements R23/24/25
    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 Phthalonitrile

    1.2 Other means of identification

    Product number -
    Other names Ftalonitril

    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

    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+H311+H331 Toxic if swallowed, in contact with skin or if inhaled

    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.

    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/…

    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
    Phthalonitrile Phthalonitrile 91-15-6 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. Refer for medical attention.

    In case of skin contact

    Rinse skin with plenty of water or shower.

    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

    Rinse mouth. Induce vomiting (ONLY IN CONSCIOUS PERSONS!). Give a slurry of activated charcoal in water to drink. Refer for medical attention .

    4.2 Most important symptoms/effects, acute and delayed

    no data available

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

    Minimum/Potential Fatal Human Dose

    4(?). 4= VERY TOXIC: PROBABLE ORAL LETHAL DOSE (HUMAN) 50-500 MG/KG, BETWEEN 1 TEASPOON & 1 OZ FOR 70 KG PERSON (150 LB).

    5.Fire-fighting measures

    5.1 Extinguishing media

    Suitable extinguishing media

    Use dry powder, carbon dioxide, foam.

    5.2 Specific hazards arising from the chemical

    no data available

    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. Carefully collect remainder. Then store and dispose of according to local regulations.

    6.3 Methods and materials for containment and cleaning up

    Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

    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 oxidants and food and feedstuffs.

    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 off-white to tan powder
    Colour NEEDLES FROM WATER OR PETROLEUM ETHER
    Odour Slightly aromatic
    Melting point/ freezing point -67°C(lit.)
    Boiling point or initial boiling point and boiling range 115°C/50mmHg(lit.)
    Flammability Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
    Lower and upper explosion limit / flammability limit no data available
    Flash point 82°C(lit.)
    Auto-ignition temperature >580°C
    Decomposition temperature no data available
    pH no data available
    Kinematic viscosity no data available
    Solubility In water:0.56 g/L (25 oC)
    Partition coefficient n-octanol/water (log value) log Kow = 0.99
    Vapour pressure 0.05 millibar @ 20°C (3.75X10-2 mm Hg)
    Density and/or relative density 1.24
    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

    no data available

    10.4 Conditions to avoid

    no data available

    10.5 Incompatible materials

    no data available

    10.6 Hazardous decomposition products

    When heated to decomposition it emits toxic fumes of CN- and NOx /cyanides and nitrogen oxides/.

    11.Toxicological information

    Acute toxicity

    • Oral: LD50 Mouse oral 65 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: no data available
    • Toxicity to daphnia and other aquatic invertebrates: no data available
    • Toxicity to algae: no data available
    • Toxicity to microorganisms: no data available

    12.2 Persistence and degradability

    no data available

    12.3 Bioaccumulative potential

    BCF values ranged from 0.8 to <5.5 for carp (Cyprinus carpio) exposed to 1,2-benzenedicarbonitrile (0.02 and 0.2 mg/l, respectively) for 6 weeks(1). According to a classification scheme(2), these BCF values suggest the potential for bioconcentration in aquatic organisms is low(SRC).

    12.4 Mobility in soil

    The Koc of 1,2-benzenedicarbonitrile is estimated as 82(SRC), using a measured log Kow of 0.99(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1,2-benzenedicarbonitrile is expected to have high mobility in soil(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: UN3439 IMDG: UN3439 IATA: UN3439

    14.2 UN Proper Shipping Name

    ADR/RID: NITRILES, SOLID, TOXIC, N.O.S.
    IMDG: NITRILES, SOLID, TOXIC, N.O.S.
    IATA: NITRILES, SOLID, TOXIC, N.O.S.

    14.3 Transport hazard class(es)

    ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

    14.4 Packing group, if applicable

    ADR/RID: III IMDG: III IATA: III

    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
    Phthalonitrile Phthalonitrile 91-15-6 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 Not 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) Not 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 DMSO-d6Expand

    NMR Spectrum 1H NMR : 90 MHz in DMSO-d6

    Collapse

    C8 H4 N2 0.037 g : 0.5 ml DMSO-d6
    phthalonitrile

    Assign. Shift(ppm)
    A 8.142
    B 7.963

    IR : KBr discExpand
    Mass spectrum (electron ionization)Expand
    ESR : ANION RADICAL, RED. WITH ALKALI METAL IN DME-THFExpand
    Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
    Oral LD50 - Lethal dose, 50 percent kill Rodent - rat 125 mg/kg 1.Behavioral-convulsions or effect on seizure threshold
    Intraperitoneal LD50 - Lethal dose, 50 percent kill Rodent - rat 62 mg/kg 1.Details of toxic effects not reported other than lethal dose value
    Oral LD50 - Lethal dose, 50 percent kill Rodent - mouse 65 mg/kg 1.Behavioral-convulsions or effect on seizure threshold
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