3-Chloro-5-nitrobenzoic acid
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3-Chloro-5-nitrobenzoic acid
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CAS No:
34662-36-7
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Formula:
C7H4ClNO4
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Chemical Name:
3-Chloro-5-nitrobenzoic acid
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Synonyms:
Benzoic acid,3-chloro-5-nitro-;3-Chloro-5-nitrobenzoic acid;3-Nitro-5-chlorobenzoic acid;NSC 6112
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CAS No:
Safety Information
|Warning|H302 (100%): 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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
3-Chloro-5-nitrobenzoic acid Use and Manufacturing
Concentrated sulfuric acid (12 mL) was added to concentrated nitric acid (1.6 mL) under ice cooling, and the mixture was stirred at 0 ° C. for 5 min.3-Chlorobenzoic acid (3 g) was added over 5 minutes, the temperature was raised to room temperature and stirred for 1 hour.The reaction solution was added dropwise to ice-cooled water, and the precipitated solid was collected by filtration and washed with water to give 3-chloro-5-nitrobenzoic acid (Compound 0004-1, 2.65 g) as a white solid.
Computed Properties
Molecular Weight:201.56
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:200.9828853
Monoisotopic Mass:200.9828853
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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