2-Mercaptobenzothiazole

Modify Date: 2024-01-02 05:33:34

2-Mercaptobenzothiazole Structure
2-Mercaptobenzothiazole structure
Common Name 2-Mercaptobenzothiazole
CAS Number 149-30-4 Molecular Weight 167.251
Density 1.5±0.1 g/cm3 Boiling Point 305.0±25.0 °C at 760 mmHg
Molecular Formula C7H5NS2 Melting Point 177-181 °C(lit.)
MSDS Chinese USA Flash Point 243 ºC (dec.)
Symbol GHS07 GHS09
GHS07, GHS09
Signal Word Warning

 Use of 2-Mercaptobenzothiazole


2-Mercaptobenzothiazole is an endogenous metabolite.

 Names

Name 2-Mercaptobenzothiazole
Synonym More Synonyms

 2-Mercaptobenzothiazole Biological Activity

Description 2-Mercaptobenzothiazole is an endogenous metabolite.
Related Catalog

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 305.0±25.0 °C at 760 mmHg
Melting Point 177-181 °C(lit.)
Molecular Formula C7H5NS2
Molecular Weight 167.251
Flash Point 243 ºC (dec.)
Exact Mass 166.986343
PSA 79.93000
LogP 2.38
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.784
Stability Stable. Incompatible with strong oxidizing agents. Flammable.
Water Solubility <0.1 g/100 mL at 19 ºC

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL6475000
CHEMICAL NAME :
2-Benzothiazolethiol
CAS REGISTRY NUMBER :
149-30-4
LAST UPDATED :
199710
DATA ITEMS CITED :
29
MOLECULAR FORMULA :
C7-H5-N-S2
MOLECULAR WEIGHT :
167.25
WISWESSER LINE NOTATION :
T56 BN DSJ CSH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>1270 mg/m3
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1158 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>7940 mg/kg
TOXIC EFFECTS :
Behavioral - food intake (animal) Behavioral - changes in motor activity (specific assay)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - quail
DOSE/DURATION :
>2150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
12220 mg/kg/13W-I
TOXIC EFFECTS :
Liver - changes in liver weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18 gm/kg/16D-I
TOXIC EFFECTS :
Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
97500 mg/kg/13W-I
TOXIC EFFECTS :
Liver - changes in liver weight Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
174 gm/kg/86W-C
TOXIC EFFECTS :
Kidney, Ureter, Bladder - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
770 mg/kg/7D-I
TOXIC EFFECTS :
Liver - hepatitis (hepatocellular necrosis), zonal Liver - liver function tests impaired
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
195 gm/kg/2Y-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Blood - leukemia Gastrointestinal - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
35 gm/kg/78W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors Blood - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
215 mg/kg
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Blood - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
195 gm/kg/2Y-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Parenteral
DOSE :
800 mg/kg
SEX/DURATION :
male 2 day(s) pre-mating female 2 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Parenteral
DOSE :
400 mg/kg
SEX/DURATION :
female 4-11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
4176 mg/kg
SEX/DURATION :
female 6-14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - gastrointestinal system

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
351 mg/L
REFERENCE :
NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-332,1988 *** REVIEWS *** TOXICOLOGY REVIEW JJOMDZ JOM, Journal of Occupational Medicine. (American Occupational Medicine Assoc., 150 N. Wacker Dr., Chicago, IL 60606) V.10- 1968- Volume(issue)/page/year: 15,808,1973 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84030 No. of Facilities: 2428 (estimated) No. of Industries: 45 No. of Occupations: 40 No. of Employees: 42637 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84030 No. of Facilities: 4825 (estimated) No. of Industries: 74 No. of Occupations: 62 No. of Employees: 86509 (estimated) No. of Female Employees: 16409 (estimated)

 Safety Information

Symbol GHS07 GHS09
GHS07, GHS09
Signal Word Warning
Hazard Statements H317-H410
Precautionary Statements P273-P280-P501
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes Xi:Irritant
Risk Phrases R43;R50/53
Safety Phrases S24-S37-S60-S61
RIDADR UN 3077 9/PG 3
WGK Germany 2
RTECS DL6475000
Packaging Group I; II; III
Hazard Class 6.1
HS Code 29342020

 Synthetic Route

 Customs

HS Code 2933199090
Summary 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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 Synonyms

AG 63
T56 BMYSJ CUS
ROTAX
2-Benzothiazolethiol,MBT
2-mercapto-benzothiazole
2-Benzothiazolethiol (MBT)
2-sulfanyl-1,3-benzothiazole
2-MBT
Sulfur Accelerator M
CAPTAX
Mertax
EINECS 205-736-8
T56 BN DSJ CSH
Accelerator MBT
Perkacit MBT
MBT
2-benzothiazolethiol
benzothiazolyl mercaptan
Mercaptobenzothiazole
2(3H)-Benzothiazolethione
1,3-Benzothiazole-2(3H)-thione
Accel M
MFCD00005781
Kaptax
Benzothiazole-2-thiol
Rokon
Benzo[d]thiazole-2(3H)-thione
2-mercapto-benzthiazole
Ceftazidime Impurity 14
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