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2-bromo-1-isothiocyanato-4-methylbenzene

2-bromo-1-isothiocyanato-4-methylbenzene structure

CAS No:
19241-39-5
Formula:
C8H6BrNS
Chemical Name:
2-bromo-1-isothiocyanato-4-methylbenzene
Synonyms:
2-Brom-4-methyl-phenylisothiocyanat; 2-Brom-4-methyl-phenylsenfoel; 2-Bromo-4-methylphenyl isothiocyanate; OR3062;

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

Molecular Weight：

228.10900

Exact Mass：

226.94043 g/mol

DSSTox ID：

DTXSID80172835

HScode：

2930909090

Characteristics

PSA：

44.45000

XLogP3：

3.49180

Density：

1.52

Boiling Point：

305.7ºC at 760 mmHg

Flash Point：

138.7ºC

Refractive Index：

1.668

Vapor Pressure：

0.00146mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2810

hazard class code：

R20/21/22; R36/37/38

safety instructions：

S26-S36/37/39

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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Guide of 2-bromo-1-isothiocyanato-4-methylbenzene

Basic Attributes
Characteristics
Safety Information
Computed Properties

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