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Home > Encyclopedia > 4-Bromobenzylisothiocyanate

4-Bromobenzylisothiocyanate

4-Bromobenzylisothiocyanate structure

4-Bromobenzylisothiocyanate 

structure
  • CAS No:

    2076-56-4

  • Formula:

    C8H6BrNS

  • Chemical Name:

    4-Bromobenzylisothiocyanate

  • Synonyms:

    4-bromobenzyl-isothiocyanate;4-bromobenzylisothiocyanate;1-bromo-4-(isothiocyanatomethyl)benzene;1-bromo-4-isothiocyanatomethyl-benzene;1-BROMO-4-ISOTHIOCYANATOMETHYLBENZENE;NSC 137468;4-Bromobenzyl isothiocyanate;SCHEMBL4780073;CTK4C8862

4-Bromobenzylisothiocyanate Basic Attributes

228.107

226.94

G3Y4EV6NQD

137468

DTXSID00174831

2930909090

Characteristics

44.4

3.9

1.6550 (rough estimate)

308.5ºC at 760mmHg

140.4ºC

14.83mg/L(25 ºC)

Safety Information

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

4-bromobenzyl-isothiocyanate

Computed Properties

Molecular Weight:228.11
XLogP3:3.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:226.94043
Monoisotopic Mass:226.94043
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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