ethyl 2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Modify Date: 2025-08-28 07:07:19

ethyl 2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure	Common Name	ethyl 2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
	CAS Number	60442-41-3	Molecular Weight	301.78900
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₁₃H₁₆ClNO₃S	Melting Point	113-115ºC
	MSDS	N/A	Flash Point	N/A

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

Melting Point	113-115ºC
Molecular Formula	C₁₃H₁₆ClNO₃S
Molecular Weight	301.78900
Exact Mass	301.05400
PSA	83.64000
LogP	3.05390
InChIKey	SYGWXPYGPAXVLL-UHFFFAOYSA-N
SMILES	CCOC(=O)c1c(NC(=O)CCl)sc2c1CCCC2

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DL9603900

CHEMICAL NAME :: Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-((chloroacetyl)amino)-, ethyl ester

CAS REGISTRY NUMBER :: 60442-41-3

BEILSTEIN REFERENCE NO. :: 1433548

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H16-Cl-N-O3-S

MOLECULAR WEIGHT :: 301.81

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >1 gm/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - ptosis Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :: EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 15,413,1980

Hazard Codes	Xi
HS Code	2934999090

Precursor 5
CAS#:4506-71-2 ETHYL 2-AMINO-4... CAS#:79-04-9 Chloroacetyl ch... CAS#:6802-76-2 Acetic acid,2-c... CAS#:108-94-1 Cyclohexanone
CAS#:105-56-6 Ethyl cyanoacetate
DownStream 4
CAS#:96334-44-0 ETHYL 2-AMINO-7... CAS#:96334-46-2 7-oxo-4,5,6,7-t... CAS#:62349-04-6 ethyl 2-[[1-(3,... CAS#:62349-05-7 ethyl 2-(2-morp...

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

MFCD00030282

2-chloroacetylamino-3-carbethoxy-4,5,6,7-tetrahydrobenzo<b>thiophene

ethylbromoacetylbenzenecarboxylate

ethyl 2-bromoacetylbenzoate

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