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Home > Encyclopedia > 2-ISOPROPYL-6-METHYLPHENYL ISOCYANATE

2-ISOPROPYL-6-METHYLPHENYL ISOCYANATE

2-ISOPROPYL-6-METHYLPHENYL ISOCYANATE structure

2-ISOPROPYL-6-METHYLPHENYL ISOCYANATE 

structure
  • CAS No:

    102561-43-3

  • Formula:

    C11H13NO

  • Chemical Name:

    2-ISOPROPYL-6-METHYLPHENYL ISOCYANATE

  • Synonyms:

    2-isocyanato-1-methyl-3-propan-2-ylbenzene;

2-ISOPROPYL-6-METHYLPHENYL ISOCYANATE Basic Attributes

175.22700

175.099714038

DTXSID20403933

2929109000

Characteristics

29.43000

3.08570

1.008

92ºC(3 torr)

131ºC

n20/D 1.526(lit.)

0.0326mmHg at 25°C

Safety Information

III

6.1

UN 2206 6.1/PG 3

R20/22; R36/37/38; R42

S23-S26-S36/37/39-S45

Xn

|Danger|H302 (97.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:175.23
XLogP3:4.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:175.099714038
Monoisotopic Mass:175.099714038
Topological Polar Surface Area:29.4
Heavy Atom Count:13
Complexity:206
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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