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2-(Trifluoromethyl)benzenesulfonamide

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

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2-(Trifluoromethyl)benzenesulfonamide Basic Attributes

Molecular Weight：

225.19

Exact Mass：

225.19

BRN：

2697078

EC Number：

-0

DSSTox ID：

DTXSID80380751

HScode：

29350090

Characteristics

PSA：

68.5

XLogP3：

1.4

Density：

1.5±0.1 g/cm3

Melting Point：

184-185 °C @ Solvent: Water, Ethanol

Boiling Point：

320.5°C at 760 mmHg

Flash Point：

>230 °F

Refractive Index：

1.494

Vapor Pressure：

0.000316mmHg at 25°C

Safety Information

Packing level：

Hazard category：

IRRITANT

Transport codes：

2811

wgk germany：

hazard class code：

safety instructions：

22-24/25-36

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

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

Hazard Statements：

H302

GHS Classification：

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

Use Classification：

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

Agrochemical：

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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Jinshu Peptide Co.,Ltd Contact Supplier

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CAS No.: 1869-24-5

Grade: Pharmaceutical Grade

Content: 99%

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Guide of 2-(Trifluoromethyl)benzenesulfonamide

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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2-(Trifluoromethyl)benzenesulfonamide

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