Benzonitrile,4,4'-sulfonylbis-

Modify Date: 2025-08-27 18:21:41

Benzonitrile,4,4'-sulfonylbis- Structure
Benzonitrile,4,4'-sulfonylbis- structure
Common Name Benzonitrile,4,4'-sulfonylbis-
CAS Number 6461-99-0 Molecular Weight 268.29100
Density 1.25g/cm3 Boiling Point 550.5ºC at 760 mmHg
Molecular Formula C14H8N2O2S Melting Point N/A
MSDS N/A Flash Point 286.7ºC

 Names

Name 4-(4-cyanophenyl)sulfonylbenzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.25g/cm3
Boiling Point 550.5ºC at 760 mmHg
Molecular Formula C14H8N2O2S
Molecular Weight 268.29100
Flash Point 286.7ºC
Exact Mass 268.03100
PSA 90.10000
LogP 3.34356
Index of Refraction 1.578
InChIKey MZKBKRFSDLTYAN-UHFFFAOYSA-N
SMILES N#Cc1ccc(S(=O)(=O)c2ccc(C#N)cc2)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DI4950000
CHEMICAL NAME :
Benzonitrile, 4,4'-sulfonyldi-
CAS REGISTRY NUMBER :
6461-99-0
LAST UPDATED :
197901
WISWESSER LINE NOTATION :
NCR DSWR DCN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02791

 Safety Information

HS Code 2926909090

 Synthetic Route

~92%

Benzonitrile,4,4'-sulfonylbis- Structure

Benzonitrile,4,...

CAS#:6461-99-0

Literature: Peng, Yao Journal of Chemical Research, 2014 , vol. 38, # 5 p. 265 - 268

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Benzonitrile,4,4'-sulfonylbis- Structure

Benzonitrile,4,...

CAS#:6461-99-0

Literature: Ashley et al. Journal of the Chemical Society, 1942 , p. 103,107 Full Text Show Details Kato Yakugaku Zasshi, 1944 , vol. 64, p. 178 Chem.Abstr., 1951 , p. 2893

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Benzonitrile,4,4'-sulfonylbis- Structure

Benzonitrile,4,...

CAS#:6461-99-0

Literature: Miller Organic Syntheses, 1955 , vol. Coll. Vol. III, p. 646,648

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Benzonitrile,4,4'-sulfonylbis- Structure

Benzonitrile,4,...

CAS#:6461-99-0

Literature: Dewing Journal of the Chemical Society, 1946 , p. 466

~%

Benzonitrile,4,4'-sulfonylbis- Structure

Benzonitrile,4,...

CAS#:6461-99-0

Literature: Ashley et al. Journal of the Chemical Society, 1942 , p. 103,107

~%

Benzonitrile,4,4'-sulfonylbis- Structure

Benzonitrile,4,...

CAS#:6461-99-0

Literature: Oxley et al. Journal of the Chemical Society, 1946 , p. 763,766

~18%

Benzonitrile,4,4'-sulfonylbis- Structure

Benzonitrile,4,...

CAS#:6461-99-0

Literature: Evans, T. L.; Grade, M. M. Synthetic Communications, 1986 , vol. 16, # 10 p. 1206 - 1216

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

BENZONITRILE,4,4'-SULFONYLDI
4,4'-Sulfonyl-di-benzonitril
Bis-<4-cyano-phenyl>-sulfon
EINECS 229-277-8
p-Cyanophenyl sulfone
4,4'-Sulfonyldibenzonitrile
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