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Home > Encyclopedia > 3-Bromophenyl isothiocyanate

3-Bromophenyl isothiocyanate

3-Bromophenyl isothiocyanate structure

3-Bromophenyl isothiocyanate 

structure
  • CAS No:

    2131-59-1

  • Formula:

    C7H4BrNS

  • Chemical Name:

    3-Bromophenyl isothiocyanate

  • Synonyms:

    Benzene,1-bromo-3-isothiocyanato-;Isothiocyanic acid,m-bromophenyl ester;1-Bromo-3-isothiocyanatobenzene;m-Bromophenyl isothiocyanate;3-Bromophenyl isothiocyanate;m-Bromophenyl isothiocyanate

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

yellow liquid after melting

3-Bromophenyl isothiocyanate Basic Attributes

214.08

214.08

2081173

210-753-9

DTXSID30175578

2930909090

Characteristics

44.4

3.18340

yellow liquid after melting

1.5g/cm3

256 °C

>110°C

1.685

24.41mg/L(25 ºC)

0.0253mmHg at 25°C

Safety Information

III

6.1

2810

3

36/37/38-20/21/22-42

36/37/39-26-45-36/37-22

NX8350000

Xn,C

P261-P280-P305 + P351 + P338-P342 + P311

H302 + H312 + H332-H315-H319-H334-H335

|Danger|H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P285, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P304+P341, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:214.08
XLogP3:4.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:212.92478
Monoisotopic Mass:212.92478
Topological Polar Surface Area:44.4
Heavy Atom Count:10
Complexity:154
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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