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Home > Encyclopedia > 2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE

2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE

2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE structure

2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE 

structure
  • CAS No:

    175205-38-6

  • Formula:

    C8H3ClF3NS

  • Chemical Name:

    2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE

  • Synonyms:

    3-Chloro-4-isothiocyanatobenzotrifluoride;2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE;Benzene, 2-chloro-1-isothiocyanato-4-(trifluoromethyl)- (9CI);2-Chloro-4-(trifluoromethyl)phenyl isothiocyanate 97%;2-Chloro-4-(trifluoromethyl)phenylisothiocyanate97%

2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE Basic Attributes

237.63

236.96300

DTXSID50371530

2930909090

Characteristics

44.4

4.09310

1.40±0.1 g/cm3(Predicted)

257.1±40.0 °C(Predicted)

109.3ºC

1.524

0.0239mmHg at 25°C

Safety Information

2810

23/24/25-36/37

26-36/37/39-45

Harmful/Stench

P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, P501

H302

Computed Properties

Molecular Weight:237.63
XLogP3:4.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:236.9626825
Monoisotopic Mass:236.9626825
Topological Polar Surface Area:44.4
Heavy Atom Count:14
Complexity:250
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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