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2-Bromobenzoylacetonitrile

2-Bromobenzoylacetonitrile structure

CAS No:
53882-80-7
Formula:
C9H6BrNO
Chemical Name:
2-Bromobenzoylacetonitrile
Synonyms:
2-Bromobenzoylacetonitrile;3-(2-bromophenyl)-3-oxopropanenitrile;3-(2-bromo-phenyl)-3-oxo-propionitrile;BENZENEPROPANENITRILE, 2-BROMO-BETA-OXO-;o-Bromophenacyl cyanide;PubChem12044;SCHEMBL1998027;CTK4J8918;DTXSID90443760;BUTTPARK 359-88

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2-Bromobenzoylacetonitrile Basic Attributes

Molecular Weight：

224.05

Exact Mass：

222.963272

DSSTox ID：

DTXSID90443760

HScode：

2926909090

Characteristics

PSA：

40.9

XLogP3：

1.58

Density：

1.5±0.1 g/cm3

Boiling Point：

358.0±27.0 °C at 760 mmHg

Flash Point：

170.3±23.7 °C

Refractive Index：

1.574

Safety Information

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, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:224.05
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:222.96328
Monoisotopic Mass:222.96328
Topological Polar Surface Area:40.9
Heavy Atom Count:12
Complexity:218
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: cl2o7; n2o4 lewis structure; dabco; dichlorine heptoxide; bioglutide; combi blocks

Guide of 2-Bromobenzoylacetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

2-Bromobenzoylacetonitrile

SDS

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