Thiocyanatoacetic acid butyl ester

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Names

[ 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

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%