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Home > Encyclopedia > 4-Bromo-2-methylphenyl isocyanate

4-Bromo-2-methylphenyl isocyanate

4-Bromo-2-methylphenyl isocyanate structure

4-Bromo-2-methylphenyl isocyanate 

structure
  • CAS No:

    1591-98-6

  • Formula:

    C8H6BrNO

  • Chemical Name:

    4-Bromo-2-methylphenyl isocyanate

  • Synonyms:

    Benzene,4-bromo-1-isocyanato-2-methyl-;Isocyanic acid,4-bromo-o-tolyl ester;4-Bromo-1-isocyanato-2-methylbenzene;4-Bromo-2-methylphenyl isocyanate

4-Bromo-2-methylphenyl isocyanate Basic Attributes

212.04300

212.04

DTXSID80370819

Characteristics

29.43000

2.72480

1.44 g/cm3

47-50 °C(lit.)

78 °C @ Press: 1 Torr

>230 °F

1.571

0.017mmHg at 25°C

Safety Information

III

6.1

2811

3

R23/25;R36/37/38;R42

S26-S36

Xn:Harmful;

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 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:212.04
XLogP3:3.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:210.96328
Monoisotopic Mass:210.96328
Topological Polar Surface Area:29.4
Heavy Atom Count:11
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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