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Home > Encyclopedia > 4-(Phenylthio)-1,2-benzenedicarbonitrile

4-(Phenylthio)-1,2-benzenedicarbonitrile

4-(Phenylthio)-1,2-benzenedicarbonitrile structure

4-(Phenylthio)-1,2-benzenedicarbonitrile 

structure
  • CAS No:

    77474-63-6

  • Formula:

    C14H8N2S

  • Chemical Name:

    4-(Phenylthio)-1,2-benzenedicarbonitrile

  • Synonyms:

    1,2-Benzenedicarbonitrile,4-(phenylthio)-;4-(Phenylthio)-1,2-benzenedicarbonitrile;4-(Phenylthio)phthalonitrile;NSC 646246;4-(Phenylsulfanyl)benzene-1,2-dicarbonitrile

4-(Phenylthio)-1,2-benzenedicarbonitrile Basic Attributes

236.29

236.29

646246

DTXSID30327338

2930909090

Characteristics

72.88000

3.58116

1.28 g/cm3

167-168 °C @ Solvent: Ethanol

166-168 °C(lit.)

235.4ºC

Safety Information

20/21/22-36/37/38

26-36

Xn

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:236.29
XLogP3:3.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:236.04081944
Monoisotopic Mass:236.04081944
Topological Polar Surface Area:72.9
Heavy Atom Count:17
Complexity:342
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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