2-(3-Amino-4-chlorobenzoyl)benzoic acid
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2-(3-Amino-4-chlorobenzoyl)benzoic acid
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CAS No:
118-04-7
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Formula:
C14H10ClNO3
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Chemical Name:
2-(3-Amino-4-chlorobenzoyl)benzoic acid
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Synonyms:
Benzoic acid,2-(3-amino-4-chlorobenzoyl)-;Benzoic acid,o-(3-amino-4-chlorobenzoyl)-;2-(3-Amino-4-chlorobenzoyl)benzoic acid;o-(3-Amino-4-chlorobenzoyl)benzoic acid;3′-Amino-4′-chloro-o-benzoylbenzoic acid;4-Chloro-3-aminobenzophenone-2′-carboxylic acid;2-[(3-Amino-4-chlorophenyl)carbonyl]benzoic acid;NSC 74496
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CAS No:
2-(3-Amino-4-chlorobenzoyl)benzoic acid Basic Attributes
275.69
275.69
204-230-4
74496
DTXSID9059466
2922509090
Characteristics
80.4
2.7
white crystal
1.418
181.5-182.0 °C @ Solvent: Ethanol
538.6°C at 760 mmHg
1.97E-12mmHg at 25°C
Safety Information
R36/37/38:Irritating to eyes, respiratory system and skin .
S26-S36
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|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-(3-Amino-4-chlorobenzoyl)benzoic acid Use and Manufacturing
The 2-(4-chlorobenzoyl)benzoic acid is nitrated with mixed acid and reduced by iron powder: add 98% sulfuric acid to the nitrification pot, add 2-(4-chlorobenzoyl)benzoic acid, and keep at 30-40℃ Stir until completely dissolved. Slowly add nitric acid within 0.5-1.0h, and control the temperature to 30-40℃. The reaction was completed for 5 minutes. Dilute with water, filter, and wash with water until it is neutral. The melting point of nitrate is above 194℃. Add the nitrate to the water in the dissolving pot, then add 30% liquid caustic soda, control the pH=6.7, and dissolve all the nitrate at about 90°C. In addition, add water to the reduction pot, heat it to 80°C, add 40 mesh iron filings and ammonium chloride, and heat it to above 95°C to dissolve the 2-(4-chloro-3-nitrobenzoyl) sodium benzoate in the pot The salt solution was gradually added to the reduction pot within 1 h, and the reaction proceeded under boiling. After the addition, keep the boiling reaction for 15min, stand still, filter, and wash the filter residue with alkaline hot water. The filtrate is acidified with concentrated sulfuric acid at 40-50°C, filtered, the filter cake is washed with water, and dried to obtain a dry product. The melting point is above 175℃ and the content is above 95%. The total yield of the nitration reduction reaction is 83%.
Intermediate for medicine and dyes. Used in the production of the drug chlorthalidone and reduced blue BC.
Benzoic acid, 2-(3-amino-4-chlorobenzoyl)-: ACTIVE
Computed Properties
Molecular Weight:275.68
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:275.0349209
Monoisotopic Mass:275.0349209
Topological Polar Surface Area:80.4
Heavy Atom Count:19
Complexity:361
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-(3-Amino-4-chlorobenzoyl)benzoic acid
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