3-Bromo-5-cyanobenzoic acid
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3-Bromo-5-cyanobenzoic acid
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CAS No:
453566-14-8
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Formula:
C8H4BrNO2
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Chemical Name:
3-Bromo-5-cyanobenzoic acid
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Synonyms:
3-BROMO-5-CYANOBENZOIC ACID;Benzoic acid, 3-bromo-5-cyano-;MFCD09261037;3-Bromo-5-cyanobenzoicacid;ACMC-1BMUX;3-cyano-5-bromobenzoic acid;3-Bromo-5-cyano-benzoic acid;SCHEMBL5222297;Benzoic acid,3-bromo-5-cyano-;CTK4I8766
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CAS No:
Safety Information
NONH for all modes of transport
3
22
Xn
P305 + P351 + P338
H302-H319
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Bromo-5-cyanobenzoic acid Use and Manufacturing
To methyl 3-bromo-5-carbamoyl-benzoate (2.8 g, 10.8 mmol, 1.0 eq) was added POCI3 (30 mL) and the reaction heated at 100 °C overnight. The POCITo methyl 3-bromo-5-carbamoyl-benzoate (2.8 g, 10.8 mmol, 1.0 eq) was added POCI3 (30 mL) and the reaction heated at 100 °C overnight. The POCI
Computed Properties
Molecular Weight:226.03
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:224.94254
Monoisotopic Mass:224.94254
Topological Polar Surface Area:61.1
Heavy Atom Count:12
Complexity:233
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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