6-chloro-4-methylbenzo[b]thiophene-3(2H)-one

Modify Date: 2025-08-25 19:00:36

6-chloro-4-methylbenzo[b]thiophene-3(2H)-one Structure
6-chloro-4-methylbenzo[b]thiophene-3(2H)-one structure
Common Name 6-chloro-4-methylbenzo[b]thiophene-3(2H)-one
CAS Number 5858-07-1 Molecular Weight 198.66900
Density 1.391g/cm3 Boiling Point 354ºC at 760 mmHg
Molecular Formula C9H7ClOS Melting Point N/A
MSDS N/A Flash Point 167.9ºC

 Names

Name 6-chloro-4-methyl-1-benzothiophen-3-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.391g/cm3
Boiling Point 354ºC at 760 mmHg
Molecular Formula C9H7ClOS
Molecular Weight 198.66900
Flash Point 167.9ºC
Exact Mass 197.99100
PSA 42.37000
LogP 2.93680
Index of Refraction 1.646
InChIKey UPPUKRIDAPMTRP-UHFFFAOYSA-N
SMILES Cc1cc(Cl)cc2c1C(=O)CS2

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL9784000
CHEMICAL NAME :
Benzo(b)thiophene-3-ol, 6-chloro-4-methyl-
CAS REGISTRY NUMBER :
5858-07-1
LAST UPDATED :
199707
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H7-Cl-O-S
MOLECULAR WEIGHT :
198.67

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 5,289,1953

 Safety Information

HS Code 2934999090

 Precursor & DownStream

Precursor  0

DownStream  1

 Customs

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

 Synonyms

3-Thianaphthenol,6-chloro-4-methyl
6-Chlor-4-methyl-benzo[b]thiophen-3-on
6-chloro-4-methyl-benzo[b]thiophen-3-one
6-chloro-4-methylbenzo[b]thiophene-3-ol
EINECS 227-483-2
UNII-K033C6226I
Benzo(b)thiophen-3(2H)-one,6-chloro-4-methyl
6-Chlor-4-methyl-benzo<b>thiophen-3(2H)-on
6-Chloro-4-methylbenzo(b)thiophene-3(2H)-one
Benzo(b)thiophene-3-ol,6-chloro-4-methyl
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