2-(2-CHLORO-ACETYLAMINO)-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER

Modify Date: 2025-09-11 18:59:15

2-(2-CHLORO-ACETYLAMINO)-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER structure	Common Name	2-(2-CHLORO-ACETYLAMINO)-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
	CAS Number	76981-88-9	Molecular Weight	315.81600
	Density	1.303g/cm3	Boiling Point	528.1ºC at 760 mmHg
	Molecular Formula	C₁₄H₁₈ClNO₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	273.2ºC

Name	ethyl 2-[(2-chloroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Synonym	More Synonyms

Density	1.303g/cm3
Boiling Point	528.1ºC at 760 mmHg
Molecular Formula	C₁₄H₁₈ClNO₃S
Molecular Weight	315.81600
Flash Point	273.2ºC
Exact Mass	315.07000
PSA	83.64000
LogP	3.44400
Index of Refraction	1.588
InChIKey	BPXRKUOHWSBUQS-UHFFFAOYSA-N
SMILES	CCOC(=O)c1c(NC(=O)CCl)sc2c1CCCCC2

Hazard Codes	Xi: Irritant;
HS Code	2934999090

ETHYL 2-AMINO-5...

CAS#:40106-13-6

Chloroacetyl ch...

CAS#:79-04-9

~58%

2-(2-CHLORO-ACE...

CAS#:76981-88-9

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

Ethyl cyanoacetate

CAS#:105-56-6

2-(2-CHLORO-ACE...

CAS#:76981-88-9

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

Cycloheptanone

CAS#:502-42-1

2-(2-CHLORO-ACE...

CAS#:76981-88-9

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

Precursor 4
CAS#:40106-13-6 ETHYL 2-AMINO-5... CAS#:79-04-9 Chloroacetyl ch... CAS#:105-56-6 Ethyl cyanoacetate CAS#:502-42-1 Cycloheptanone
DownStream 0

HS Code	2934999090
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

f0745-0359

Names