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Home > Encyclopedia > 4-(Trifluoromethylthio)benzonitrile

4-(Trifluoromethylthio)benzonitrile

4-(Trifluoromethylthio)benzonitrile structure

4-(Trifluoromethylthio)benzonitrile 

structure
  • CAS No:

    332-26-3

  • Formula:

    C8H4F3NS

  • Chemical Name:

    4-(Trifluoromethylthio)benzonitrile

  • Synonyms:

    4-TRIFLUOMETHYLTHIOBENZONITRILE;4-(TRIFLUOROMETHYLTHIO)BENZONITRILE;P-CYANOPHENYLTRIFLUOROMETHYLSULFIDE;4-(Trifluoromethylthio)benzonitrile98%;4-(Trifluoromethylthio)benzonitrile98%;4-[(trifluoroMethyl)sulfanyl]benzonitrile;4-(Trifluoromethylthio)benzonitrile,p-(Trifluoromethylthio)benzonitrile;4-[(Trifluoromethyl)sulphanyl]benzonitrile,4-Cyanophenyltrifluoromethylsulphide

4-(Trifluoromethylthio)benzonitrile Basic Attributes

203.184

203.001648

DTXSID30381399

Characteristics

49.09000

3.37

1.4±0.1 g/cm3

39-43 °C(lit.)

187.6±40.0 °C at 760 mmHg

67.3±27.3 °C

1.517

Safety Information

3276

3

R20/21/22

S26-S36/37/39

T: Toxic;

P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

H301+H311+H331

|Danger|H301+H311+H331 (50%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:203.19
XLogP3:3.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:203.00165479
Monoisotopic Mass:203.00165479
Topological Polar Surface Area:49.1
Heavy Atom Count:13
Complexity:209
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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