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Home> Hot Product Listed 2   > 2-Mercaptobenzothiazole (MBT)

2-Mercaptobenzothiazole (MBT)

CAS No.:149-30-4
EINECS(EC#):205-736-8
Molecular Weight:167.251
Molecular Formula:C7H5NS2 (Products with the same molecular formula)
MOL File:149-30-4.mol
Names and Identifiers
Synonyms

2-Benzothiazolethiol2-Mercaptobenzothiazole (MBT) Benzothiazole-2-thiol

Inchi
InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
InChkey
YXIWHUQXZSMYRE-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)NC(=S)S2
Properties
Appearance
beige or light yellow powder with a faint odour
Density
1.42
Melting Point
172-180℃
Boiling Point
305 oC at 760 mmHg
Vapour
0.000844mmHg at 25°C
Refractive Index
1.783
Flash Point
243℃ (dec.)
Solubilities
<0.1 g/100 mL at 19 oC
Color/Form
PALE, YELLOW MONOCLINIC NEEDLES OR LEAFLETS
YELLOWISH POWDER
NEEDLES FROM ALC OR DILUTE METHANOL
Yellowish to tan crystalline powder
Stability
Stable. Incompatible with strong oxidizing agents. Flammable.
HS Code
29342020
Storage temp
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Spectral properties
MAX ABSORPTION (METHANOL): 235 NM (LOG E= 4.12); 282 NM SHOULDER (LOG E= 3.34); 320 NM (LOG E= 4.43); SADTLER REF NUMBER: 11493 (IR, PRISM); 8139 (IR, GRATING)
Intense mass spectral peaks: 167 m/z (100%), 69 m/z (33%), 45 m/z (23%), 63 m/z (20%)
IR: 6034 (Coblentz Society Spectral Collection)
UV: 390 (Sadtler Research Laboratories Spectral Collection)
NMR: 10149 (Sadtler Research Laboratories Spectral Collection)
MASS: 1092 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)
Safety and Handling
Hazard Codes
Xi:Irritant
Risk Statements
R43;R50/53
Safety Statements
S24;S37;S60;S61
HazardClass
6.1
Safety

Hazard Codes?IrritantXi,DangerousN
Risk Statements 43-50/53
R43:May cause sensitization by skin contact.?
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements 24-37-60-61
S24:Avoid contact with skin.?
S37:Wear suitable gloves.?
S60:This material and its container must be disposed of as hazardous waste.?
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR UN 3077 9/PG 3
WGK Germany 2
RTECS DL6475000
F 9-13-23
HS Code 29342020

PackingGroup
I; II; III
Sensitive
Air Sensitive
Skin, Eye, and Respiratory Irritations
2-MERCAPTOBENZOTHIAZOLE ... IS REPORTED TO BE VERY IRRITATING TO EYES.
Transport
UN 3077
Formulations/Preparations
GRADES: TECHNICAL; 97%
Nuodex 84 contains the sodium salt for use in water base adhesives, paper sizings. Niacides are mixtures with carbamate fungicides for control of apple scab and rust.
Exposure Standards and Regulations
2-Mercaptobenzothiazole solution. Opthalmic and topical dosage form new animal drugs not subject to certification. Specifications and conditions of use provided for dogs.
Reactivities and Incompatibilities
DANGEROUS ... ON CONTACT WITH ACID OR ACID FUMES, EMITS HIGHLY TOXIC FUMES OF OXIDES OF SULFUR AND OXIDES OF NITROGEN.
Other Preventative Measures
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
Protective Equipment and Clothing
2-MERCAPTOBENZOTHIAZOLE ... IS REPORTED TO BE VERY IRRITATING TO EYES.
Specification

1.General Description: Pale yellow to tan crystalline powder with a disagreeable odor.
2.Air & Water Reactions: Insoluble in water.
3.Reactivity Profile :2-Mercaptobenzothiazole is incompatible with strong oxidizing agents. Also incompatible with acids and acid fumes .
4.Fire Hazard: 2-Mercaptobenzothiazole is combustible.

Octanol/Water Partition Coefficient
log Kow = 2.41
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
The recommended disposal method is burial in a landfill. Incineration is not recommended unless provision can be made to insure that sulfur and nitrogen oxides will not be emitted to the atmosphere.
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 1000_10000 view >
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
General Química S.A.U. 2013
LANXESS N.V. 2015
Thomas Swan & Co. Ltd. 2012
more >
MSDS

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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 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Mercaptobenzothiazole

1.2 Other means of identification

Product number -
Other names mercaptobenzothiazole

1.3 Recommended use of the chemical and restrictions on use

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

1.4 Supplier's details

Company WWW.GuideChem.COM
Address 8F, Block C, No.3 Building, Zijin Plaza, No.701, Gudun Road, Hangzhou, Zhejiang 310030, China
Telephone +86-571-89739798
Fax 86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-571-89739798
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

Skin sensitization, Category 1

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H317 May cause an allergic skin reaction

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

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

P272 Contaminated work clothing should not be allowed out of the workplace.

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

P273 Avoid release to the environment.

Response

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

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

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

P362+P364 Take off contaminated clothing and wash it before reuse.

P391 Collect spillage.

Storage

none

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
2-Mercaptobenzothiazole 2-Mercaptobenzothiazole 149-30-4 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.

In case of skin contact

Remove contaminated clothes. Rinse and then wash skin with water and soap.

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.

4.2 Most important symptoms/effects, acute and delayed

SYMPTOMS: Symptoms of exposure to this compound may include allergic contact dermatitis. Skin contact may also lead to sensitization. Eye contact can cause irritation. ACUTE/CHRONIC HAZARDS: This compound may be harmful by inhalation, ingestion or skin absorption. It is very irritating to the eyes. When heated to decomposition or upon contact with acid or acid fumes, it emits highly toxic fumes of carbon monoxide, carbon dioxide, sulfur oxides and nitrogen oxides.

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

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Aromatic hydrocarbons and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Suitable extinguishing media: Use water spray, alchohol-resistant foam, dry chemical or carbon dioxide.

5.2 Specific hazards arising from the chemical

This chemical is 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 sealable containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.

6.3 Methods and materials for containment and cleaning up

Personal precautions, protective equipment and emergency procedure: Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Avoid breathing dust.

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 acids.Conditions for safe storage, including any incompatibilities: 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 beige or light yellow powder with a faint odour
Colour Pale, yellow monoclinic needles or leaflets
Odour Disagreeable odor
Melting point/ freezing point -19\u00b0C(lit.)
Boiling point or initial boiling point and boiling range 64\u00b0C/4mmHg
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 200\u00b0C
Auto-ignition temperature 628\u00b0C
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility less than 1 mg/mL at 18.89\u00b0C
Partition coefficient n-octanol/water (log value) log Kow = 2.41
Vapour pressure 0.000844mmHg at 25\u00b0C
Density and/or relative density 1.42
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

2-MERCAPTOBENZOTHIAZOLE is incompatible with strong oxidizing agents. Also incompatible with acids and acid fumes .

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

... on contact with acid or acid fumes it emits toxic /oxides of sulfur and oxides of nitrogen/.

10.6 Hazardous decomposition products

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

11.Toxicological information

Acute toxicity

  • Oral: LD50 Mice (Slc:ddY) male oral LD50 1558 (mg/kg) /suspension in 5% gum arabic solution/
  • 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

Cancer Classification: Group C Possible Human Carcinogen

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: Lepomis macrochirus (Bluegill); Conditions: freshwater, static; Concentration: 2300 ug/L for 24 hr /formulation
  • 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

AEROBIC: Several biodegradation studies with 2-mercaptobenzothiazole using an activated sludge seed inoculum indicate little or no biodegration(1-4). 2-Mercaptobenzothiazole, present at 100 mg/L, reached only 2.5% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test indicating the compound is not readily biodegradable(1). It has been suggested that at the concentrations used in these studies, 56-100 ppm, 2-mercaptobenzothiazole is toxic to the microorganisms in the sludge(5). A more detailed study indicated that inhibitory effects occur between 20 and 50 ppm of 2-mercaptobenzothiazole(5). When the sludge is well acclimated and the concentrations low enough, 2-mercaptobenzothiazole may completely biodegrade forming 2-benzothiazolesulfonate or dibenzothiazole-2,2-disulfide, depending on conditions(5). In a screening test comparable to OECD Method 301B (CO2 evolution), 2-mercaptobenzothiazole, present at 17-18 mg/L, reached only 1-5% degradation after 35 days of incubation which classified the compound as not inherently biodegradable(6). Another CO2 evolution study determined <1% degradation after 28 days using adapted activated sludge and an initial 2-mercaptobenzothiazole concentration of 23.8 mg/L(6). Partial degradation of 2-mercaptobenzothiazole was found in laboratory-scale fed-batch systems using activated sludge inoculum taken from rubber chemicals wastewater treatment plants(6).

12.3 Bioaccumulative potential

A BCF of <8 was measured in fish for 2-mercaptobenzothiazole(SRC), using carp (Cyprinus carpio) which were exposed over a 6-week period(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

The Koc of 2-mercaptobenzothiazole was measured as 677, 326 and 1360 in California sandy loam, California clay loam and California sandy soil respectively(1). The Koc of 2-mercaptobenzothiazole was measured as 2130, 3560 and 2590 in three different sediments(1). The Koc of 2-mercaptobenzothiazole was measured as 915, 863, 1429 and 1829 in Drummer silty clay loam, Spinks sandy loam, Ray silt loam and Lintonia sandy loam soil respectively(1). According to a classification scheme(2), these estimated Koc values suggest that 2-mercaptobenzothiazole is expected to have moderate to slight mobility in soil. The pKa of 2-mercaptobenzothiazole is 7.03(1), indicating that this compound will exist partially in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(3).

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: UN3077 IMDG: UN3077 IATA: UN3077

14.2 UN Proper Shipping Name

ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S.
IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S.
IATA: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 9 IMDG: 9 IATA: 9

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

14.5 Environmental hazards

ADR/RID: yes IMDG: yes IATA: yes

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
2-Mercaptobenzothiazole 2-Mercaptobenzothiazole 149-30-4 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 Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 10, 2017
Revision Date Aug 10, 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.

Precursor and Product
Computational chemical data

Molecular Weight:167.2513 [g/mol]
Molecular Formula:C7H5NS2
XLogP3:2.4
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:0
Tautomer Count:2
Exact Mass:166.986341
MonoIsotopic Mass:166.986341
Topological Polar Surface Area:69.4
Heavy Atom Count:10
Formal Charge:0
Complexity:158
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1