Thiocyanatoacetic acid butyl ester

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Names

[ CAS No. ]:
5345-64-2

[ Name ]:
Thiocyanatoacetic acid butyl ester

[Synonym ]:
Thiocanatoessigsaeure-butylester
Thiocyano-essigsaeure-N-butyl-ester
ACETIC ACID,THIOCYANATO-,BUTYL ESTER
thiocyanato-acetic acid butyl ester
Thiocyanato-essigsaeure-butylester
WLN: NCS1VO4

Chemical & Physical Properties

[ Density]:
1.118g/cm3

[ Boiling Point ]:
258.3ºC at 760 mmHg

[ Molecular Formula ]:
C7H11NO2S

[ Molecular Weight ]:
173.23300

[ Flash Point ]:
110ºC

[ Exact Mass ]:
173.05100

[ PSA ]:
75.39000

[ LogP ]:
1.54398

[ Index of Refraction ]:
1.481

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AJ6000000
CHEMICAL NAME :
Acetic acid, thiocyanato-, butyl ester
CAS REGISTRY NUMBER :
5345-64-2
BEILSTEIN REFERENCE NO. :
1771501
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H11-N-O2-S
MOLECULAR WEIGHT :
173.25
WISWESSER LINE NOTATION :
NCS1VO4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
60 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 16,870,1966

Safety Information

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Butyl Chloroacetate

DownStream

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Related Compounds

  • phosphoric acid butyl ester bis-(4-methoxy-phenyl) ester
  • Undecanoic acid butyl ester
  • Hydroselenocyanoacetic acid butyl ester
  • bromosulfurous acid butyl ester
  • Carbamimidothioic acid,butyl ester
  • N-Methylanthanilic acid butyl ester
  • 1-(6-phenylpyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
  • 1-(6-(4-methoxyphenyl)pyridazin-3-yl)-N-(pyridin-2-yl)piperidine-3-carboxamide
  • 6-[(Oxan-4-yl)amino]pyridine-3-carboxylic acid
  • 4-(aminomethyl)-N-methyl-N-(tetrahydro-2H-pyran-4-yl)benzamide
  • 2-{[6-(azepan-1-yl)pyridazin-3-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide
  • 3-Cyclohexyl-1-[4-[[4-(1,1-dimethylethyl)-2-thiazolyl]methyl]-1-piperazinyl]-1-propanone
  • 2-(Trifluoromethyl)-3-vinyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
  • Cyclopropyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)methanone
  • Ethyl 4-({[(6-azepan-1-ylpyridazin-3-yl)thio]acetyl}amino)benzoate
  • 3-benzyl-6-((3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
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