4-Bromobenzoylacetonitrile
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4-Bromobenzoylacetonitrile
structure -
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CAS No:
4592-94-3
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Formula:
C9H6BrNO
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Chemical Name:
4-Bromobenzoylacetonitrile
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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
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CAS No:
Characteristics
40.9
1.7
WHITE TO TAN SOLID, POWDER, CRYSTALS,CRYSTALLINE POWDER AND/OR CHUNKS
1.5±0.1 g/cm3
161-163ºC
370°C at 760 mmHg
177.6±23.7 °C
1.574
Safety Information
NONH for all modes of transport
3
R36/37/38
S26
Xi: Irritant;
P261-P305 + P351 + P338
H315-H319-H335
|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
