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

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Names

[ CAS No. ]:
56957-82-5

[ Name ]:
4-butylsulfonyl-2,3,5,6-tetrachlorobenzonitrile

[Synonym ]:
benzonitrile,4-butylsulfonyl-2,3,5,6-tetrachloro

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

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

Synthetic Route

Click to get detail synthetic route

Related Compounds

4-Hexylsulfonyl-2,3,5,6-tetrachlorobenzonitrile
4-Pentylsulfonyl-2,3,5,6-tetrachlorobenzonitrile
4-(2-Ethoxyethylsulfonyl)-2,3,5,6-tetrachlorobenzonitrile
4-(3-Phenylpropylsulfonyl)-2,3,5,6-tetrachlorobenzonitrile
4-tert-butyl-2,3,5,6-tetrachlorobenzonitrile
2,3,5,6-tetrachloro-4-(4-chlorobutylsulfonyl)benzonitrile