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Home > Encyclopedia > 2-BROMOETHYLISOTHIOCYANATE

2-BROMOETHYLISOTHIOCYANATE

2-BROMOETHYLISOTHIOCYANATE structure

2-BROMOETHYLISOTHIOCYANATE 

structure
  • CAS No:

    1483-41-6

  • Formula:

    C3H4BrNS

  • Chemical Name:

    2-BROMOETHYLISOTHIOCYANATE

  • Synonyms:

    2-Bromoethyl isothiocyanate;1-Bromo-2-isothiocyanatoethane;2-BROMOETHylisoTHIOCYANATE;Ethane,1-bromo-2-isothiocyanato-;C3H4BrNS;ACMC-20ao1n;(2-Bromoethyl) isothiocyanate;SCHEMBL348440;CTK4C5779;DTXSID00163947

2-BROMOETHYLISOTHIOCYANATE Basic Attributes

166.04000

164.92500

2930909090

Characteristics

44.45000

1.48410

1,65 g/cm3

102-108

102 °C

102-108°C/15mm

1.5980

0.26mmHg at 25°C

Safety Information

III

6.1

2206

R20/21/22;R36/37/38

S23-S36/37/39

C: Corrosive;

P261, P264, P270, P271, P280, P285, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, P501

H301

|Danger|H301 (88.37%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, 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:166.04
XLogP3:2.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:164.92478
Monoisotopic Mass:164.92478
Topological Polar Surface Area:44.4
Heavy Atom Count:6
Complexity:67.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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