1-(4-CHLOROPHENYL)-2-(METHYLSULFONYL)ETHANONE

Modify Date: 2024-02-05 07:42:50

1-(4-CHLOROPHENYL)-2-(METHYLSULFONYL)ETHANONE Structure
1-(4-CHLOROPHENYL)-2-(METHYLSULFONYL)ETHANONE structure
Common Name 1-(4-CHLOROPHENYL)-2-(METHYLSULFONYL)ETHANONE
CAS Number 60217-76-7 Molecular Weight 249.69300
Density 1.26g/cm3 Boiling Point 414.9ºC at 760 mmHg
Molecular Formula C13H12ClNO2 Melting Point N/A
MSDS N/A Flash Point 204.7ºC

 Names

Name 1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.26g/cm3
Boiling Point 414.9ºC at 760 mmHg
Molecular Formula C13H12ClNO2
Molecular Weight 249.69300
Flash Point 204.7ºC
Exact Mass 249.05600
PSA 42.23000
LogP 3.44570
Index of Refraction 1.595
InChIKey CCMUJMMWBQLMFO-UHFFFAOYSA-N
SMILES Cc1cc(C(=O)O)c(C)n1-c1ccc(Cl)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UX9371340
CHEMICAL NAME :
1H-Pyrrole-3-carboxylic acid, 1-(4-chlorophenyl)-2,5-dimethyl-
CAS REGISTRY NUMBER :
60217-76-7
BEILSTEIN REFERENCE NO. :
0405709
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H12-Cl-N-O2
MOLECULAR WEIGHT :
249.71

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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: 11,173,1976

 Safety Information

HS Code 2933990090

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

1H-Pyrrole-3-carboxylic acid,1-(4-chlorophenyl)-2,5-dimethyl
1-(4-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid
1-(4-Chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
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