4-butylsulfonyl-2,3,5,6-tetrachlorobenzonitrile

Modify Date: 2025-09-18 19:31:52

4-butylsulfonyl-2,3,5,6-tetrachlorobenzonitrile Structure
4-butylsulfonyl-2,3,5,6-tetrachlorobenzonitrile structure
 Common Name 4-butylsulfonyl-2,3,5,6-tetrachlorobenzonitrile
CAS Number 56957-82-5 Molecular Weight 361.07200
Density 1.57g/cm3 Boiling Point 504.5ºC at 760 mmHg
Molecular Formula C11H9Cl4NO2S Melting Point N/A
MSDS N/A Flash Point 258.9ºC

 Names

Name 4-butylsulfonyl-2,3,5,6-tetrachlorobenzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.57g/cm3
Boiling Point 504.5ºC at 760 mmHg
Molecular Formula C11H9Cl4NO2S
Molecular Weight 361.07200
Flash Point 258.9ºC
Exact Mass 358.91100
PSA 66.31000
LogP 5.82648
Index of Refraction 1.595
InChIKey RDFRYOMUNDFBHZ-UHFFFAOYSA-N
SMILES CCCCS(=O)(=O)c1c(Cl)c(Cl)c(C#N)c(Cl)c1Cl

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DI2550000
CHEMICAL NAME :
Benzonitrile, 4-butylsulfonyl-2,3,5,6-tetrachloro-
CAS REGISTRY NUMBER :
56957-82-5
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H9-Cl4-N-O2-S
MOLECULAR WEIGHT :
361.07
WISWESSER LINE NOTATION :
NCR BG CG EG FG DSW4

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 :
237 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 21,906,1978

 Synonyms

benzonitrile,4-butylsulfonyl-2,3,5,6-tetrachloro
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Chemsrc provides CAS#:56957-82-5 MSDS, density, melting point, boiling point, structure, etc. Its name is 4-butylsulfonyl-2,3,5,6-tetrachlorobenzonitrile>> amp version: 4-butylsulfonyl-2,3,5,6-tetrachlorobenzonitrile

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