3-(2-Bromoacetyl)benzonitrile
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3-(2-Bromoacetyl)benzonitrile
structure -
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CAS No:
50916-55-7
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Formula:
C9H6BrNO
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Chemical Name:
3-(2-Bromoacetyl)benzonitrile
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Synonyms:
BUTTPARK 41\03-54;3-CYANOPHENACYL BROMIDE;3-(2-BROMOACETYL)BENZENECARBONITRILE;3-(2-BROMOACETYL)BENZONITRILE;3-(Bromoacetyl)benzonitrile;3-(2-Bromoacetyl)benzonitrile, 95+%;3-Cyanophenacyl bromide 95%;3-(2-Bromoacetyl)benzonitrile3-(2-Bromoacetyl)benzonitrile
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CAS No:
Safety Information
Ⅲ
IRRITANT
3261
20/21/22-34
26-36/37/39-45
C
Corrosive
P260, P261, P264, P270, P271, P280, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, P501
H301+H311+H331
|Danger|H301+H311+H331 (33.33%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P260, P261, P264, P270, P271, P280, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-(2-Bromoacetyl)benzonitrile Use and Manufacturing
Used in the study of novel GSK-3 inhibitors as central nervous system agents.
Computed Properties
Molecular Weight:224.05
XLogP3:2
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
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