Acetic acid, (1H-benzimidazol-2-ylthio)-, ethyl ester (9CI)

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Names

[ CAS No. ]:
5429-62-9

[ Name ]:
Acetic acid, (1H-benzimidazol-2-ylthio)-, ethyl ester (9CI)

[Synonym ]:
ethyl 2-(1H-benzo[d]imidazol-2-ylthio)acetate
2-(Carboethoxymethylmercapto)benzimidazole
ACETIC ACID,2-BENZIMIDAZOLYLTHIO-,ETHYL ESTER
ethyl (1H-benzimidazol-2-yl-thio)acetate
ethyl 2-benzimidazol-2-ylthioacetate
ethyl (1H-benzimidazol-2-ylsulfanyl)acetate
ethyl 2-(benzimidazolthio)acetate
2-Benzimidazolylthioacetic acid ethyl ester
ethyl 2-(benzimidazolyl-thio)acetate
(2-benzimidazolylthio)ethyl acetate

Chemical & Physical Properties

[ Density]:
1.31g/cm3

[ Boiling Point ]:
407.2ºC at 760 mmHg

[ Molecular Formula ]:
C11H12N2O2S

[ Molecular Weight ]:
236.29000

[ Flash Point ]:
200ºC

[ Exact Mass ]:
236.06200

[ PSA ]:
80.28000

[ LogP ]:
2.21810

[ Index of Refraction ]:
1.636

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AF4700000
CHEMICAL NAME :
Acetic acid, 2-benzimidazolylthio-, ethyl ester
CAS REGISTRY NUMBER :
5429-62-9
BEILSTEIN REFERENCE NO. :
0203676
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H12-N2-O2-S
MOLECULAR WEIGHT :
236.31
WISWESSER LINE NOTATION :
T56 BM DNJ CS1VO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03920

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • ethyl chloroacetate
  • 1H-BENZOIMIDAZOLE-2-THIOL
  • ethyl 2-bromoacetate
  • benzimidazole-2-thione
  • 2-METHYLTHIOBENZIMIDAZOLE
  • 2-phenylsulfanyl-1H-benzimidazole
  • 2-BENZYLSULFANYL-1H-BENZOIMIDAZOLE
  • 1H-Benzimidazole, 2-[(R)-methylsulfinyl]
  • Timoprazole

DownStream

  • (2-benzimidazolylthio)acetic acid hydrazide
  • Thiazolo[3,2-a]benzimidazol-3(2H)-one
  • ethyl 2-(1-acetylbenzimidazol-2-yl)sulfanylacetate

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%