3-(Methylsulfonyl)benzonitrile

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Names

[ CAS No. ]:
22821-75-6

[ Name ]:
3-(Methylsulfonyl)benzonitrile

[Synonym ]:
3-Methylsulfon-benzoesaeure-nitril
3-Methylsulfonylbenzonitrile
3-Methylsulfon-benzonitril
3-methanesulfonylbenzonitrile
3-Methansulfonyl-benzonitril
3-cyanophenyl methyl sulfone
4-(Methylsulfonyl)benzoicacid
3-(Methylsulfonyl)benzonitrile

Chemical & Physical Properties

[ Density]:
1.32g/cm3

[ Boiling Point ]:
378.1ºC at 760 mmHg

[ Melting Point ]:
103-104 ºC

[ Molecular Formula ]:
C8H7NO2S

[ Molecular Weight ]:
181.21200

[ Flash Point ]:
182.5ºC

[ Exact Mass ]:
181.02000

[ PSA ]:
66.31000

[ LogP ]:
2.04258

[ Vapour Pressure ]:
6.45E-06mmHg at 25°C

[ Index of Refraction ]:
1.57

[ Water Solubility ]:
Slightly soluble (1.3 g/L) (25 ºC)

Safety Information

[ Hazard Codes ]:
Xi: Irritant;

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-Cyanothioanisole
  • 3-methylsulfanylaniline,hydrochloride
  • 3-(Methylsulfonyl)aniline
  • 1-(Methylsulfonyl)-3-nitrobenzene
  • 3-chlorosulfonylbenzoic acid
  • Benzenesulfonamide
  • 3-Methylsulfonyl benzoic acid
  • 3-Bromophenyl methyl sulfone
  • zinc,dicyanide

DownStream

  • 3-(Methylsulfonyl)Benzenemethanamine
  • 3-Methanesulfonyl-5-nitrobenzoicacid

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%

Related Compounds

  • 4-Formyl-3-(methylsulfonyl)benzonitrile
  • 4-Fluoro-3-(methylsulfonyl)benzonitrile
  • 3,5-Bis(methylsulfonyl)benzonitrile
  • 3,5-bis(methylsulfonyl)benzonitrile
  • 3-METHYLSULFONYL-AZETIDINE HYDROCHLORIDE
  • 3-methylsulfonyl-1-[(3-methylsulfonylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium,dichloride