2-(Thiocyanatomethylthio)benzothiazole

Suppliers

Names

[ CAS No. ]:
21564-17-0

[ Name ]:
2-(Thiocyanatomethylthio)benzothiazole

[Synonym ]:
Busan 71
Benthiazole
Tolcide 2230
Superdavloxan
Thiocyanic acid, (2-benzothiazolylthio)methyl ester
2-(thiocyanomethylthio)benzothiazole
2-(thiocyanatomethylthio)-1,3-benzothiazole
MFCD00072503
TCMTB
T56 BN DSJ CS1SCN
Busan 15
2-((Thiocyanatomethyl)thio)benzo[d]thiazole
(2-benzothiazolylthio)methyl thiocyanate
2-thiocyanatomethylsulfanyl-benzothiazole
EINECS 244-445-0
thiocyanatomethylthiobenzothiazole
Delsan 30
(1,3-Benzothiazol-2-ylsulfanyl)methyl thiocyanate
1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate
(1,3-benzothiazol-2-ylthio)methyl thiocyanate
Alentisan
AI3-29396-X
2-(thiocyanatomethylthio)benzothiazole
Ichiban
Sancelant TMB

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
405.6±47.0 °C at 760 mmHg

[ Molecular Formula ]:
C9H6N2S3

[ Molecular Weight ]:
238.352

[ Flash Point ]:
199.1±29.3 °C

[ Exact Mass ]:
237.969315

[ PSA ]:
115.52000

[ LogP ]:
3.12

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.743

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XK8151500
CHEMICAL NAME :
Thiocyanic acid, 2-(benzothiazolylthio)methyl ester, 80%
CAS REGISTRY NUMBER :
21564-17-0
LAST UPDATED :
199710
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C9-H6-N2-S3
MOLECULAR WEIGHT :
238.35

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 :
2538 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BUCKL* Buckman Laboratories, Inc. (1256 N. McLean, Memphis, TN 38108) Volume(issue)/page/year: 14FEB1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
10 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BUCKL* Buckman Laboratories, Inc. (1256 N. McLean, Memphis, TN 38108) Volume(issue)/page/year: 14FEB1980 *** 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 : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X9401 No. of Facilities: 429 (estimated) No. of Industries: 13 No. of Occupations: 23 No. of Employees: 27975 (estimated) No. of Female Employees: 11764 (estimated)

Safety Information

[ Hazard Codes ]:
T+: Very toxic;N: Dangerous for the environment;Xn: Harmful;

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S28-S36/37-S38-S45-S60-S61-S36-S26

[ RTECS ]:
XK8150900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-(chloromethylsulfanyl)-1,3-benzothiazole
  • Sodium thiocyanate
  • 2-Mercaptobenzothiazole
  • 2-Methylmercaptobenzothiazole
  • Thiocyanic acid,chloromethyl ester (7CI,8CI,9CI)

DownStream

Preparation

Related Compounds

  • 2-Benzothiazole ethanamine,alpha,alpha-dimethyl-(9CI)
  • [2-(Benzothiazole-2-sulfonylamino)-ethylamino]-acetic acid ethyl ester
  • 2-(benzothiazole-2-sulfonyl)-2-(2,4-dinitro-phenyl)-1-phenyl-ethanone
  • 2-(Benzothiazole-2-ylthio)cyclopentanone
  • 2-Benzothiazole carboxylic acid,6-hydroxy-,ethylester(9CI)
  • 1,2-benzothiazole 1-oxide
  • 3-{4-[4-Methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]piperazin-1-yl}pyridine-2-carbonitrile
  • 2-(4-{2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperazin-1-yl)-4-(pyrrolidin-1-yl)pyrimidine
  • 3-{4-[2-(Dimethylamino)pyrimidin-4-yl]piperazin-1-yl}pyridine-4-carbonitrile
  • 5-Chloro-6-{4-[2-(pyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl}pyridine-3-carbonitrile
  • N-cyclopropyl-4-(quinolin-4-yl)morpholine-2-carboxamide
  • 4-(Pyrimidine-2-carbonyl)thiomorpholine
  • N-cyclopropyl-4-{2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl}morpholine-2-carboxamide
  • 3-[2-(Morpholine-4-carbonyl)morpholin-4-yl]pyrazine-2-carbonitrile
  • 4-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(morpholine-4-carbonyl)morpholine
  • 2-(Morpholine-4-carbonyl)-4-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]morpholine
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