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1-(Bromomethyl)-3-isothiocyanatobenzene

1-(Bromomethyl)-3-isothiocyanatobenzene structure

CAS No:
155863-31-3
Formula:
C8H6BrNS
Chemical Name:
1-(Bromomethyl)-3-isothiocyanatobenzene
Synonyms:
Benzene,1-(bromomethyl)-3-isothiocyanato-;1-(Bromomethyl)-3-isothiocyanatobenzene

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1-(Bromomethyl)-3-isothiocyanatobenzene Basic Attributes

Molecular Weight：

228.11

Exact Mass：

228.11

DSSTox ID：

DTXSID90437548

HScode：

2930909090

Characteristics

PSA：

44.4

XLogP3：

3.9

Density：

1.438g/cm3

Melting Point：

35-38 °C

Boiling Point：

320.794ºC at 760 mmHg

Flash Point：

147.811ºC

Refractive Index：

1.607

Water Solubility：

chloroform: 0.1 g/mL, clear, very faintly brownish yellow

Vapor Pressure：

0.001mmHg at 25°C

Safety Information

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

25-36/37/38-42

safety instructions：

22-26-45

Marks：

Precautionary statement(s)：

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

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P310, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P342+P311, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

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:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(Bromomethyl)-3-isothiocyanatobenzene

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-(Bromomethyl)-3-isothiocyanatobenzene

SDS

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