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2-(Trifluoromethyl)benzenesulfonamide

2-(Trifluoromethyl)benzenesulfonamide structure

2-(Trifluoromethyl)benzenesulfonamide 

structure
  • CAS No:

    1869-24-5

  • Formula:

    C7H6F3NO2S

  • Chemical Name:

    2-(Trifluoromethyl)benzenesulfonamide

  • Synonyms:

    Benzenesulfonamide,2-(trifluoromethyl)-;o-Toluenesulfonamide,α,α,α-trifluoro-;2-(Trifluoromethyl)benzenesulfonamide;2-(Trifluoromethyl)benzene-1-sulfonamide

  • Categories:

    Organic Chemistry  >  Hydrocarbons and Derivatives

2-(Trifluoromethyl)benzenesulfonamide Basic Attributes

225.19

225.19

2697078

-0

DTXSID80380751

29350090

Characteristics

68.5

1.4

1.5±0.1 g/cm3

184-185 °C @ Solvent: Water, Ethanol

320.5°C at 760 mmHg

>230 °F

1.494

0.000316mmHg at 25°C

Safety Information

I

IRRITANT

2811

3

22

22-24/25-36

Xi

Irritant

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

H302

Not Classified

2-(Trifluoromethyl)benzenesulfonamide Use and Manufacturing

Methods of Manufacturing

Intermediate 1 : 2-(trifluoiOmethyl)benzenesulfonamide (cf. Scheme 3, compound XXI)To a solution of 2-(trifluoromethyl)benzenesulfonyl chloride (5g; 20.44 mmol; 1.00 eq.) in anhydrous THF (5.00 ml) was added a solution of 71 ml Ammonia in Ethanol 2M under nitrogen at room temperature. The reaction mixture was shaken for 2Oh at room temperature. The solvent was evaporated and the residue redissolved in EtOAc(15OmL) and then washed with NH

Environmental transformation -> Pesticide transformation products (metabolite, successor)

2-trifluoromethyl-benzenesulfonamide is a known environmental transformation product of Tritosulfuron.

Computed Properties

Molecular Weight:225.19
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:225.00713409
Monoisotopic Mass:225.00713409
Topological Polar Surface Area:68.5
Heavy Atom Count:14
Complexity:293
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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