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    benzothiazole
    CAS No.: 95-16-9 Formula: C7H5NS Molecular Weight: 135.18600
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    benzothiazole

    CAS No.: 95-16-9 Formula: C7H5NS Molecular Weight: 135.18600
    Suppliers: All (155) China Suppliers (94) Price Available (26) Contractor (5)

    Description

    Benzothiazole is an aromatic heterocyclic compound with the chemical formula C 7H 5NS. It is colorless, slightly viscous liquid. Although the parent compound, benzothiazole is not widely used, many of its derivatives are found in commercial products or in nature. A derivative of benzothiazole is the light-emitting component of luciferin, found in fireflies.

    Basic Info

    Chemical Name benzothiazole
    Synonyms

    BENZOTHIAZOLE; benzothiazol; (methylthio)benzothiazole; BENZO[D]THIAZOLE; benzo[d][1,3]thiazole; Benzosulfonazole; benzthiazole; Vangard BT; 1-Thia-3-azaindene; USAF EK-4812; Expand

    CAS No. 95-16-9
    Molecular Formula C7H5NS
    Molecular Weight 135.18600
    PSA 41.13000
    LogP 2.29630

    Numbering system

    MDL number MFCD00005775
    EINECS number 202-396-2

    Properties

    Appearance & Physical State yellow liquid with an unpleasant odour
    Density 1.238
    Boiling Point 231oC
    Melting Point 2oC
    Flash Point 96.6oC
    Refractive Index 1.641-1.644
    Water Solubility slightly soluble
    Stability Stable - regarded as highly persistent in the environment. Incompatible with strong oxidizing agents. Combustion products: nitrogen oxides, carbon monoxide, carbon dioxide, sulphur oxides.
    Storage Condition Keep away from heat and flame. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep away from water.
    Vapor Density 4.66 (vs air)
    Vapor Pressure 34 mm Hg ( 131 °C)

    Safety Info

    RTECS DL0875000
    Hazard Class 6.1
    Safety Statements S36/37
    HS Code 2934200090
    Packing Group III
    WGK Germany 2
    RIDADR UN 2810
    Risk Statements R20/21/22
    Hazard Codes Xn
    Symbol GHS06
    Signal Word Danger
    Hazard Declaration H301 + H311; H319; H332
    Caution Statement P280; P301 + P310; P305 + P351 + P338; P312
    SDS 1.0 Expand

    SDS 1.0

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    Download/Modify | Technical supported by XiXisys.com. For US version, EU version (23 languages) and more, please refer to xixisys.com/en/sds/search

    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 benzothiazole

    1.2 Other means of identification

    Product number -
    Other names BENZOTHIAZOLE

    1.3 Recommended use of the chemical and restrictions on use

    Identified uses For industry use only. Food additives -> Flavoring Agents
    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

    Eye irritation, Category 2

    Acute toxicity - Inhalation, Category 4

    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

    H319 Causes serious eye irritation

    H332 Harmful if inhaled

    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.

    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.

    P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

    P337+P313 If eye irritation persists: Get medical advice/attention.

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

    Storage

    P405 Store locked up.

    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
    benzothiazole benzothiazole 95-16-9 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

    If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

    In case of skin contact

    Wash off with soap and plenty of water. Consult a physician.

    In case of eye contact

    Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

    If swallowed

    Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

    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

    no data available

    5.Fire-fighting measures

    5.1 Extinguishing media

    Suitable extinguishing media

    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

    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

    Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

    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

    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

    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 liquid with an unpleasant odour
    Colour Yellow liquid
    Odour ODOR SIMILAR TO THAT OF QUINOLINE
    Melting point/ freezing point 255°C(lit.)
    Boiling point or initial boiling point and boiling range 231°C(lit.)
    Flammability no data available
    Lower and upper explosion limit / flammability limit no data available
    Flash point 113°C
    Auto-ignition temperature no data available
    Decomposition temperature no data available
    pH no data available
    Kinematic viscosity no data available
    Solubility In water:slightly soluble
    Partition coefficient n-octanol/water (log value) 2.01
    Vapour pressure 34 mm Hg ( 131 °C)
    Density and/or relative density 1.238g/mLat 25°C(lit.)
    Relative vapour density 4.66 (vs air)
    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

    REACT WITH WATER, STEAM OR ACIDS TO PRODUCE TOXIC & FLAMMABLE VAPORS OF HYDROGEN SULFIDE. /SULFIDES/

    10.6 Hazardous decomposition products

    WHEN HEATED TO DECOMP, THEY EMIT HIGHLY TOXIC FUMES OF SO(X)/SULFIDES/

    11.Toxicological information

    Acute toxicity

    • Oral: no data available
    • 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

    Complete biodegradation of 72X10-6 mols/l of benzothiazole incorporated into an activated sludge medium obtained from a municipal wastewater treatment facility was observed after 16 days (1). Employing a standard BOD dilution technique and an activated sludge inoculum, a theoretical BOD of 100% was observed for a 0.0125 mM sample of benzothiazole over an unspecified time period, while a 0.125 mM sample produced a theoretical BOD of 10%(2). An activated sludge innoculum biodegraded benzothiozaole over a 6 month incubation period(3). This data would suggest that low levels of benzothiazole are totally biodegraded, while high concentrations are expected to be toxic to microbes(SRC).

    12.3 Bioaccumulative potential

    An estimated BCF value of 20 was calculated for benzothiazole(SRC), using an experimental log Kow of 2.01(1) and a recommended regression-derived equation(2). According to a classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms is low(SRC).

    12.4 Mobility in soil

    The Koc of benzothiazole is estimated as approximately 295(SRC), using an experimental log Kow of 2.01(1,SRC) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that benzothiazole has moderate 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: UN2810 IMDG: UN2810 IATA: UN2810

    14.2 UN Proper Shipping Name

    ADR/RID: TOXIC LIQUID, ORGANIC, N.O.S.
    IMDG: TOXIC LIQUID, ORGANIC, N.O.S.
    IATA: TOXIC LIQUID, ORGANIC, 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
    benzothiazole benzothiazole 95-16-9 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) 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

    C7 H5 N S 0.04 ml : 0.5 ml CDCl3
    benzothiazole

    Assign. Shift(ppm)
    A 8.971
    B 8.14
    C 7.94
    D 7.51
    E 7.46

    J(A,E)=-0.4HZ

    IR : liquid filmExpand
    Mass spectrum (electron ionization)Expand
    UV/Visible spectrumExpand
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