4-Bromo-2-nitrobenzoic acid
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4-Bromo-2-nitrobenzoic acid
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CAS No:
99277-71-1
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Formula:
C7H4BrNO4
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Chemical Name:
4-Bromo-2-nitrobenzoic acid
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Synonyms:
4-BROMO-2-NITROBENZOIC ACID;2-NITRO-4-BROMO BENZOIC ACID;4-Bromo-2-Nitrobenzoic Acid 2-Nitro-4-Bromobenzoic Acid;4-bromo-2-nitrobenzoic;Bromonitrobenzoicacid 42---;5-Bromo-2-carboxynitrobenzene;2-Bromo-2-nitrobenzoic acid
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CAS No:
4-Bromo-2-nitrobenzoic acid Basic Attributes
246.01
244.932358
1312995-182-4
DTXSID20396250
2916399090
Safety Information
III
IRRITANT
UN 3077 9/PG 3
2
22-36/37/38-43-50
26-36/37-61
Xn,N,Xi
Irritant
P261-P273-P280-P305 + P351 + P338
H302-H315-H317-H319-H335-H400
|Warning|H302 (86.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Bromo-2-nitrobenzoic acid Use and Manufacturing
4-Bromo-2-nitrobenzoic acid is an intermediate in the synthesis of Lonafarnib (L469445), a potential anticancer agent.
Computed Properties
Molecular Weight:246.01
XLogP3:2.1
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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