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Home > Encyclopedia > 2-[4-(trifluoromethyl)phenyl]sulfonylacetonitrile

2-[4-(trifluoromethyl)phenyl]sulfonylacetonitrile

2-[4-(trifluoromethyl)phenyl]sulfonylacetonitrile structure

2-[4-(trifluoromethyl)phenyl]sulfonylacetonitrile 

structure
  • CAS No:

    186405-37-8

  • Formula:

    C9H6F3NO2S

  • Chemical Name:

    2-[4-(trifluoromethyl)phenyl]sulfonylacetonitrile

  • Synonyms:

    4-trifluoromethylphenylsulfonylacetonitrile; 2-(4-trifluoromethylphenylsulfonyl)acetonitrile; (4-trifluoromethylbenzenesulfonyl)-acetonitrile; 2-(3,4-DIMETHOXYPHENYL)-6,8-DIMETHYLQUINOLINE-4-CARBOXYLIC ACID; Acetonitrile,2-[[4-(trifluoromethyl)phenyl]sulfonyl];

2-[4-(trifluoromethyl)phenyl]sulfonylacetonitrile Basic Attributes

249.21000

249.00713409

DTXSID30621383

2926909090

Characteristics

66.31000

3.08348

1.427g/cm3

142-145ºC

381.9ºC at 760 mmHg

184.8ºC

1.481

4.9E-06mmHg at 25°C

Safety Information

III

6.1

UN3439

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|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, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:249.21
XLogP3:1.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:249.00713409
Monoisotopic Mass:249.00713409
Topological Polar Surface Area:66.3
Heavy Atom Count:16
Complexity:379
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 2-[4-(trifluoromethyl)phenyl]sulfonylacetonitrile

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