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Home > Encyclopedia > Benzene, 1-isocyanato-2,4,5-trimethyl- (9CI)

Benzene, 1-isocyanato-2,4,5-trimethyl- (9CI)

Benzene, 1-isocyanato-2,4,5-trimethyl- (9CI) structure

Benzene, 1-isocyanato-2,4,5-trimethyl- (9CI) 

structure
  • CAS No:

    85324-94-3

  • Formula:

    C10H11NO

  • Chemical Name:

    Benzene, 1-isocyanato-2,4,5-trimethyl- (9CI)

  • Synonyms:

    2,4,5-TRIMETHYLPHENYL ISOCYANATE;1-Isocyanato-2,4,5-trimethylbenzene;BENZENE, 1-ISOCYANATO-2,4,5-TRIMETHYL-;SCHEMBL1191608;CTK5F4754;DTXSID20510055;2,4,5-TRIMETHYLPHENYL ISOCYANATE, 98%

  • Categories:

    Organic Chemistry  >  Hydrocarbons and Derivatives

Benzene, 1-isocyanato-2,4,5-trimethyl- (9CI) Basic Attributes

161.20044

161.084

DTXSID20510055

Characteristics

29.4

3.8

Safety Information

20/21/22-36/37/38

23-26-36

Xn

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, P501

H302

|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:161.20
XLogP3:3.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:161.084063974
Monoisotopic Mass:161.084063974
Topological Polar Surface Area:29.4
Heavy Atom Count:12
Complexity:196
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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