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Home > Encyclopedia > 4-BROMO-2,6-DIMETHYLPHENYL ISOCYANATE

4-BROMO-2,6-DIMETHYLPHENYL ISOCYANATE

4-BROMO-2,6-DIMETHYLPHENYL ISOCYANATE structure

4-BROMO-2,6-DIMETHYLPHENYL ISOCYANATE 

structure
  • CAS No:

    77159-76-3

  • Formula:

    C9H8BrNO

  • Chemical Name:

    4-BROMO-2,6-DIMETHYLPHENYL ISOCYANATE

  • Synonyms:

    4-BROMO-2,6-DIMETHYLPHENYL ISOCYANATE;5-Bromo-2-isothiocyanato-1,3-dimethylbenzene;4-BROMO-2,6-DIMETHYLPHENYL ISOCYANATE, 9 8%;Benzene, 5-bromo-2-isocyanato-1,3-dimethyl- (9CI);5-bromo-2-isocyanato-1,3-dimethylbenzene

4-BROMO-2,6-DIMETHYLPHENYL ISOCYANATE Basic Attributes

226.07

224.97900

5506753

DTXSID30403222

2929109000

Characteristics

29.4

3.03320

1.39g/cm3

62-64 °C(lit.)

280.5ºC at 760 mmHg

123.5ºC

1.563

Safety Information

III

6.1

2206

3

20/21/22-36/37/38

26-36

Xn

P261-P280-P305 + P351 + P338

H302-H312-H315-H319-H332-H335

|Warning|H302 (90.48%): 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:226.07
XLogP3:4.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:224.97893
Monoisotopic Mass:224.97893
Topological Polar Surface Area:29.4
Heavy Atom Count:12
Complexity:189
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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