Acetic acid,2-[(2-cyanoethyl)thio]-, ethyl ester

Modify Date: 2024-01-02 18:06:23

Acetic acid,2-[(2-cyanoethyl)thio]-, ethyl ester Structure
Acetic acid,2-[(2-cyanoethyl)thio]-, ethyl ester structure
Common Name Acetic acid,2-[(2-cyanoethyl)thio]-, ethyl ester
CAS Number 5331-38-4 Molecular Weight 173.23300
Density 1.118g/cm3 Boiling Point 287.2ºC at 760mmHg
Molecular Formula C7H11NO2S Melting Point N/A
MSDS N/A Flash Point 127.5ºC

 Names

Name [(2-cyanoethyl)thio]acetic acid, ethyl ester
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.118g/cm3
Boiling Point 287.2ºC at 760mmHg
Molecular Formula C7H11NO2S
Molecular Weight 173.23300
Flash Point 127.5ºC
Exact Mass 173.05100
PSA 75.39000
LogP 1.19638
Index of Refraction 1.481
InChIKey HGDQWBAREHCJCE-UHFFFAOYSA-N
SMILES CCOC(=O)CSCCC#N

 Safety Information

HS Code 2930909090

 Synthetic Route

~90%

Acetic acid,2-[(2-cyanoethyl)thio]-, ethyl ester Structure

Acetic acid,2-[...

CAS#:5331-38-4

Literature: Bell, Richard; Cottam, Peter D.; Davies, John; Jones, D. Neville Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1981 , # 7 p. 2106 - 2115

 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

Ethanaminium,2-cyano-N,N,N-trimethyl-,chloride
1-Cyanoethyl-thioessigsaeure-ethylester
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