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Home > Encyclopedia > 2-TERT-BUTYL-6-METHYLPHENYLISOCYANATE

2-TERT-BUTYL-6-METHYLPHENYLISOCYANATE

2-TERT-BUTYL-6-METHYLPHENYLISOCYANATE structure

2-TERT-BUTYL-6-METHYLPHENYLISOCYANATE 

structure
  • CAS No:

    13680-30-3

  • Formula:

    C12H15NO

  • Chemical Name:

    2-TERT-BUTYL-6-METHYLPHENYLISOCYANATE

  • Synonyms:

    2-TERT-BUTYL-6-METHYLPHENYL ISOCYANATE;2-METHYL-6-T-BUTYLPHENYL ISOCYANATE;1-(tert-butyl)-2-isocyanato-3-Methylbenzene;Benzene, 1-(1,1-dimethylethyl)-2-isocyanato-3-methyl-

2-TERT-BUTYL-6-METHYLPHENYLISOCYANATE Basic Attributes

189.25

189.115364102

DTXSID70393052

2929109000

Characteristics

29.43000

3.25980

1.0160 (estimate)

34-38 °C(lit.)

242 °C(lit.)

92.7ºC

1.5230 (estimate)

0.0149mmHg at 25°C

Safety Information

III

6.1

2811

3

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 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:189.25
XLogP3:4.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:189.115364102
Monoisotopic Mass:189.115364102
Topological Polar Surface Area:29.4
Heavy Atom Count:14
Complexity:235
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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