2-(2-CHLORO-ACETYLAMINO)-6-METHYL-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER

Modify Date: 2025-08-24 13:22:59

2-(2-CHLORO-ACETYLAMINO)-6-METHYL-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER Structure
2-(2-CHLORO-ACETYLAMINO)-6-METHYL-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER structure
Common Name 2-(2-CHLORO-ACETYLAMINO)-6-METHYL-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
CAS Number 76981-87-8 Molecular Weight 315.81600
Density 1.291g/cm3 Boiling Point 517.5ºC at 760 mmHg
Molecular Formula C14H18ClNO3S Melting Point N/A
MSDS N/A Flash Point 266.8ºC

 Names

Name ethyl 2-[(2-chloroacetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.291g/cm3
Boiling Point 517.5ºC at 760 mmHg
Molecular Formula C14H18ClNO3S
Molecular Weight 315.81600
Flash Point 266.8ºC
Exact Mass 315.07000
PSA 83.64000
LogP 3.29990
Index of Refraction 1.582
InChIKey WZZDTSHULCEHQQ-UHFFFAOYSA-N
SMILES CCOC(=O)c1c(NC(=O)CCl)sc2c1CCC(C)C2

 Safety Information

Hazard Codes Xi: Irritant;

 Synthetic Route

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2-(2-CHLORO-ACETYLAMINO)-6-METHYL-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER Structure

2-(2-CHLORO-ACE...

CAS#:76981-87-8

Literature: European Journal of Medicinal Chemistry, , vol. 15, # 5 p. 413 - 418

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2-(2-CHLORO-ACETYLAMINO)-6-METHYL-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER Structure

2-(2-CHLORO-ACE...

CAS#:76981-87-8

Literature: European Journal of Medicinal Chemistry, , vol. 15, # 5 p. 413 - 418

~87%

2-(2-CHLORO-ACETYLAMINO)-6-METHYL-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER Structure

2-(2-CHLORO-ACE...

CAS#:76981-87-8

Literature: Perrissin; Duc; Narcisse; et al. European Journal of Medicinal Chemistry, 1980 , vol. 15, # 5 p. 413 - 418

 Synonyms

f9995-0081
2,9-diiodo-4,4,5,5,6,6,7,7-octafluorodecane-1,10-diol
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