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2-Bromo-4,5-dimethoxybenzenepropanenitrile

2-Bromo-4,5-dimethoxybenzenepropanenitrile structure

CAS No:
35249-62-8
Formula:
C11H12BrNO2
Chemical Name:
2-Bromo-4,5-dimethoxybenzenepropanenitrile
Synonyms:
Benzenepropanenitrile,2-bromo-4,5-dimethoxy-;2-Bromo-4,5-dimethoxybenzenepropanenitrile;2-Bromo-4,5-dimethoxyhydrocinnamonitrile;NSC 268227;3-(2-Bromo-4,5-dimethoxyphenyl)propiononitrile;3-(2-Bromo-4,5-dimethoxyphenyl)propanenitrile
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2-Bromo-4,5-dimethoxybenzenepropanenitrile Basic Attributes

Molecular Weight：

270.12248

Exact Mass：

270.12

EC Number：

609-105-1

NSC Number：

268227

DSSTox ID：

DTXSID50188746

HScode：

2926909090

Characteristics

PSA：

42.2

XLogP3：

2.61

Density：

1.4±0.1 g/cm3

Melting Point：

90-92 °C

Boiling Point：

379.4±37.0 °C at 760 mmHg

Flash Point：

183.3±26.5 °C

Refractive Index：

1.538

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, 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:270.12
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:269.00514
Monoisotopic Mass:269.00514
Topological Polar Surface Area:42.2
Heavy Atom Count:15
Complexity:238
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Bromo-4,5-dimethoxybenzenepropanenitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties
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2-Bromo-4,5-dimethoxybenzenepropanenitrile

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