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Home > Encyclopedia > trans-1-Isocyanato-4-methylcyclohexane

trans-1-Isocyanato-4-methylcyclohexane

trans-1-Isocyanato-4-methylcyclohexane structure

trans-1-Isocyanato-4-methylcyclohexane 

structure
  • CAS No:

    32175-00-1

  • Formula:

    C8H13NO

  • Chemical Name:

    trans-1-Isocyanato-4-methylcyclohexane

  • Synonyms:

    Cyclohexane,1-isocyanato-4-methyl-,trans-;Isocyanic acid,4-methylcyclohexyl ester,trans-;trans-1-Isocyanato-4-methylcyclohexane;trans-4-Methylcyclohexyl isocyanate

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

trans-1-Isocyanato-4-methylcyclohexane Basic Attributes

139.19

139.19

608-715-5

2929109000

Characteristics

29.4

3

clear colourless liquid

1.04

182ºC

60ºC

1.518

Safety Information

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P272, P273, P280, P284, P285, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P304+P341, P305+P351+P338, P310, P311, P312, P320, P321, P322, P330, P331, P332+P313, P333+P313, P337+P313, P342+P311, P361, P362, P363, P370+P378, P391, P403+P233, P403+P235, P405, P501

H226

|Danger|H226 (42.86%): Flammable liquid and vapor [Warning Flammable liquids]|P201, P202, P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P272, P273, P280, P281, P284, P285, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P304+P341, P305+P351+P338, P308+P313, P310, P311, P312, P320, P321, P322, P330, P331, P332+P313, P333+P313, P337+P313, P342+P311, P361, P362, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 7 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:139.19
XLogP3:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:139.099714038
Monoisotopic Mass:139.099714038
Topological Polar Surface Area:29.4
Heavy Atom Count:10
Complexity:141
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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