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3-BROMOBENZOYLACETONITRILE

3-BROMOBENZOYLACETONITRILE structure

CAS No:
70591-86-5
Formula:
C9H6BrNO
Chemical Name:
3-BROMOBENZOYLACETONITRILE
Synonyms:
3-Bromobenzoylacetonitrile;3-(3-bromophenyl)-3-oxopropanenitrile;MFCD02260778;3-bromo-beta-oxo-benzenepropanenitrile;2-(3-BROMOBENZOYL)ACETONITRILE;3-(3-Bromo-phenyl)-3-oxo-propionitr;PubChem12043;3-(3-bromo-phenyl)-3-oxo-propionitrile;KSC498A5H;SCHEMBL1786567
Categories:
Pharmaceutical Intermediates > Ophthalmic Agents

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3-BROMOBENZOYLACETONITRILE Basic Attributes

Molecular Weight：

224.05

Exact Mass：

222.963272

DSSTox ID：

DTXSID60373580

HScode：

2926909090

Characteristics

PSA：

40.9

XLogP3：

1.7

Density：

1.5±0.1 g/cm3

Melting Point：

93-95ºC

Boiling Point：

364.8°C at 760 mmHg

Flash Point：

174.4±23.7 °C

Refractive Index：

1.574

Safety Information

Marks：

Precautionary statement(s)：

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

Hazard Statements：

H315

Computed Properties

Molecular Weight:224.05
XLogP3:1.7
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

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CAS No.: 70591-86-5

Grade: Pharmaceutical Grade

Content: 99%

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Basic Attributes
Characteristics
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Computed Properties
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