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Home > Encyclopedia > 1-Bromo-4-isothiocyanato-2-methylbenzene

1-Bromo-4-isothiocyanato-2-methylbenzene

1-Bromo-4-isothiocyanato-2-methylbenzene structure

1-Bromo-4-isothiocyanato-2-methylbenzene 

structure
  • CAS No:

    71672-88-3

  • Formula:

    C8H6BrNS

  • Chemical Name:

    1-Bromo-4-isothiocyanato-2-methylbenzene

  • Synonyms:

    Benzene,1-bromo-4-isothiocyanato-2-methyl-;1-Bromo-4-isothiocyanato-2-methylbenzene;3-Methyl-4-bromophenyl isothiocyanate;4-Bromo-3-methylphenyl isothiocyanate

1-Bromo-4-isothiocyanato-2-methylbenzene Basic Attributes

228.11

228.11

275-823-3

DTXSID70221907

2930909090

Characteristics

44.4

3.49180

1.53 g/cm3

307.9ºC at 760 mmHg

140ºC

Safety Information

2811

20/21/22-36/37/38

26-36/37/39

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:228.11
XLogP3:4.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:226.94043
Monoisotopic Mass:226.94043
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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