5-BROMO-2-NITRO-BENZOIC ACID
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5-BROMO-2-NITRO-BENZOIC ACID
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CAS No:
6950-43-2
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Formula:
C7H4BrNO4
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Chemical Name:
5-BROMO-2-NITRO-BENZOIC ACID
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Synonyms:
5-bromo-2-nitrobenzoic acid;5-Bromo-2-nitro-benzoic acid;Benzoic acid, 5-bromo-2-nitro-;2-NITRO-5-BROMOBENZOIC ACID;NSC65749;PubChem20371;KSC495A5T;ACMC-209o91;SCHEMBL1228589;5-bromanyl-2-nitro-benzoic acid
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CAS No:
Safety Information
20/21/22
22-24/25
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-BROMO-2-NITRO-BENZOIC ACID Use and Manufacturing
A suspension of 3-bromobenzoic acid (249 g, 1.24 mol, 1.0 eq.) in conc.sulfuric acid (800 mL) was cooled at 0° C. Conc. nitric acid (57.1 mL, 1.2 mol) was added dropwise and the mixture was warmed to 20° C. and stirred 1 hr.
Computed Properties
Molecular Weight:246.01
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:244.93237
Monoisotopic Mass:244.93237
Topological Polar Surface Area:83.1
Heavy Atom Count:13
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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