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2-Bromo-4,5-dimethoxyphenylacetonitrile

2-Bromo-4,5-dimethoxyphenylacetonitrile structure

CAS No:
51655-39-1
Formula:
C10H10BrNO2
Chemical Name:
2-Bromo-4,5-dimethoxyphenylacetonitrile
Synonyms:
6-BROMO-3,4-DIMETHOXYPHENYLACETONITRILE;2-BROMO-4,5-DIMETHOXYPHENYLACETONITRILE;2-Bromo-4,5-dimethoxybenzyl cyanide;2-(2-BroMo-4,5-diMethoxyphenyl)acetonitrile

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2-Bromo-4,5-dimethoxyphenylacetonitrile Basic Attributes

Molecular Weight：

256.1

Exact Mass：

254.98900

DSSTox ID：

DTXSID70199591

HScode：

2926909090

Characteristics

PSA：

42.2

XLogP3：

2.2

Density：

1.424g/cm3

Melting Point：

87-89°C

Boiling Point：

343.4°C at 760 mmHg

Flash Point：

161.5ºC

Refractive Index：

1.543

Safety Information

Hazard category：

IRRITANT, IRRITANT-HARMFUL

Marks：

Precautionary statement(s)：

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

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:256.10
XLogP3:2.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:254.98949
Monoisotopic Mass:254.98949
Topological Polar Surface Area:42.2
Heavy Atom Count:14
Complexity:225
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Bromo-4,5-dimethoxyphenylacetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

2-Bromo-4,5-dimethoxyphenylacetonitrile

SDS

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