| Identification | Back Directory | [Name]
3-chloro-5-nitro-benzoic acid | [CAS]
34662-36-7 | [Synonyms]
3-Nitro-5-chlorobenzoic acid
3-chloro-5-nitro-benzoic acid
Benzoic acid, 3-chloro-5-nitro-
3-Chloro-5-nitrobenzoic acid 98%
3-Chloro-5-nitrobenzoic acid: 3-Nitro-5-chlorobenzoic acid | [Molecular Formula]
C7H4ClNO4 | [MDL Number]
MFCD09263224 | [MOL File]
34662-36-7.mol | [Molecular Weight]
201.56 |
| Chemical Properties | Back Directory | [Boiling point ]
351.1±27.0 °C(Predicted) | [density ]
1.602±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
3.11±0.10(Predicted) | [Appearance]
Light yellow to brown Solid | [InChI]
InChI=1S/C7H4ClNO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,(H,10,11) | [InChIKey]
YLQAJBKACBLUCM-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC([N+]([O-])=O)=CC(Cl)=C1 |
| Hazard Information | Back Directory | [Uses]
3-Chloro-5-nitrobenzoic acid | [Synthesis]
Concentrated sulfuric acid (12 mL) was slowly added to concentrated nitric acid (1.6 mL) under cooling conditions in an ice bath and the reaction mixture was kept stirring for 5 min at 0 °C. Subsequently, 3-chlorobenzoic acid (3 g) was added in batches over 5 min, and the temperature of the reaction system was gradually brought to room temperature with continuous stirring for 1 h. The reaction was carried out in an ice bath under cooling conditions. Upon completion of the reaction, the reaction solution was slowly added dropwise to ice-cooled water, and the precipitated solid product was collected by filtration and washed thoroughly with cold water to finally obtain a white solid 3-chloro-5-nitrobenzoic acid (Compound 0004-1, 2.65 g). | [References]
[1] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 16, p. 4557 - 4561
[2] Patent: JP6052673, 2016, B2. Location in patent: Paragraph 0081 |
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