Thiocyanatoacetic acid butyl ester

Modify Date: 2024-02-06 00:49:56

Thiocyanatoacetic acid butyl ester Structure
Thiocyanatoacetic acid butyl ester structure
Common Name Thiocyanatoacetic acid butyl ester
CAS Number 5345-64-2 Molecular Weight 173.23300
Density 1.118g/cm3 Boiling Point 258.3ºC at 760 mmHg
Molecular Formula C7H11NO2S Melting Point N/A
MSDS N/A Flash Point 110ºC

 Names

Name butyl 2-thiocyanatoacetate
Synonym More Synonyms

 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

~%

Thiocyanatoacetic acid butyl ester Structure

Thiocyanatoacet...

CAS#: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 & DownStream

Precursor  1

DownStream  0

 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%

 Synonyms

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