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Home > Encyclopedia > 4-(trans-4-Butylcyclohexyl)benzonitrile

4-(trans-4-Butylcyclohexyl)benzonitrile

4-(trans-4-Butylcyclohexyl)benzonitrile structure

4-(trans-4-Butylcyclohexyl)benzonitrile 

structure
  • CAS No:

    61204-00-0

  • Formula:

    C17H23N

  • Chemical Name:

    4-(trans-4-Butylcyclohexyl)benzonitrile

  • Synonyms:

    Benzonitrile,4-(trans-4-butylcyclohexyl)-;Benzonitrile,4-(4-butylcyclohexyl)-,trans-;4-(trans-4-Butylcyclohexyl)benzonitrile;trans-4-Butyl-1-(4-cyanophenyl)cyclohexane;p-trans-(4-Butylcyclohexyl)benzonitrile;S 1188;PCH 4;trans-4-Butyl(4′-cyanophenyl)cyclohexane

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

4-(trans-4-Butylcyclohexyl)benzonitrile Basic Attributes

241.37

241.37

262-655-0

Characteristics

23.8 Ų

0.98±0.1 g/cm3

41.0 to 45.0 °C

366.6±21.0 °C(Predicted)

Safety Information

III

6.1

UN 3439 6.1/PG III

|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, P273, P280, P301+P310, P302+P352, 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.

4-(trans-4-Butylcyclohexyl)benzonitrile Use and Manufacturing

Benzonitrile, 4-(trans-4-butylcyclohexyl)-: ACTIVE

Computed Properties

Molecular Weight:241.37
XLogP3:6.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:241.183049738
Monoisotopic Mass:241.183049738
Topological Polar Surface Area:23.8
Heavy Atom Count:18
Complexity:271
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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