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4-Bromobenzoylacetonitrile

4-Bromobenzoylacetonitrile structure

CAS No:
4592-94-3
Formula:
C9H6BrNO
Chemical Name:
4-Bromobenzoylacetonitrile
Synonyms:
3-(4-bromophenyl)-3-oxopropanenitrile;4-Bromobenzoylacetonitrile;p-Bromobenzoylacetonitrile;(4-bromobenzoyl)acetonitrile;BENZENEPROPANENITRILE, 4-BROMO-BETA-OXO-;Benzenepropanenitrile, 4-bromo-b-oxo-;3-(4-bromphenyl)-3-oxopropanonitril;4-BROMOBENZOYLACETONITIRLE;PubChem12042;ACMC-1AKBD
Categories:
Pharmaceutical Intermediates > Ophthalmic Agents

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4-Bromobenzoylacetonitrile Basic Attributes

Molecular Weight：

224.05

Exact Mass：

222.963272

DSSTox ID：

DTXSID50354368

HScode：

2926909090

Characteristics

PSA：

40.9

XLogP3：

1.7

Appearance：

WHITE TO TAN SOLID, POWDER, CRYSTALS,CRYSTALLINE POWDER AND/OR CHUNKS

Density：

1.5±0.1 g/cm3

Melting Point：

161-163ºC

Boiling Point：

370°C at 760 mmHg

Flash Point：

177.6±23.7 °C

Refractive Index：

1.574

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

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:210
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Bromobenzoylacetonitrile

CAS No.: 4592-94-3

Content: 99.00%

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CAS No.: 4592-94-3

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Guide of 4-Bromobenzoylacetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties
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4-Bromobenzoylacetonitrile

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