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5345-64-2

5345-64-2 structure
5345-64-2 structure
  • Name: Thiocyanatoacetic acid butyl ester
  • Chemical Name: butyl 2-thiocyanatoacetate
  • CAS Number: 5345-64-2
  • Molecular Formula: C7H11NO2S
  • Molecular Weight: 173.23300
  • Create Date: 2017-05-07 07:40:21
  • Modify Date: 2024-02-06 00:49:56

Name butyl 2-thiocyanatoacetate
Synonyms Thiocanatoessigsaeure-butylester
Thiocyano-essigsaeure-N-butyl-ester
ACETIC ACID,THIOCYANATO-,BUTYL ESTER
thiocyanato-acetic acid butyl ester
Thiocyanato-essigsaeure-butylester
WLN: NCS1VO4
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

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
HS Code 2930909090

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5345-64-2 structure

5345-64-2

Literature: Speroni et al. Chimica e l'Industria (Milan, Italy), 1951 , vol. 33, p. 209 Full Text Show Details Ito et al. Nippon Nogei Kagaku Kaishi, 1951 , vol. 25, p. 397 Chem.Abstr., 1953 , p. 6492
Precursor  1

DownStream  0

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%