98187-15-6

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98187-15-6 Structure

Identification	Back Directory
[Name] 4-NITRO-2-(TRIFLUOROMETHYL)BENZOIC ACID
[CAS] 98187-15-6
[Synonyms] RARECHEM AL BO 1444 4-NITRO-2-(TRIFLUOROMETHYL)BENZOIC ACID 4-Nitro-2-(trifluoromethyl)benzoyl chloride Benzoyl chloride, 4-nitro-2-(trifluoromethyl)-
[Molecular Formula] C8H3ClF3NO3
[MDL Number] MFCD04039246
[MOL File] 98187-15-6.mol
[Molecular Weight] 253.56

Chemical Properties	Back Directory
[Melting point ] 138-142 °C(lit.)
[Boiling point ] 283.2±40.0 °C(Predicted)
[density ] 1.573±0.06 g/cm3(Predicted)
[InChI] InChI=1S/C8H3ClF3NO3/c9-7(14)5-2-1-4(13(15)16)3-6(5)8(10,11)12/h1-3H
[InChIKey] QLENXPZKYQCBKY-UHFFFAOYSA-N
[SMILES] C(Cl)(=O)C1=CC=C([N+]([O-])=O)C=C1C(F)(F)F

Raw materials And Preparation Products	Back Directory
[Raw materials] 2-Bromo-5-nitrobenzotrifluoride-->4-NITRO-2-(TRIFLUOROMETHYL)BENZOIC ACID-->2-Bromobenzotrifluoride

Hazard Information	Back Directory
[Description] 4-Nitro-2-(trifluoromethyl)benzoic acid is white to pale yellow crystalline powder, density: 1.596g/cm3, boiling point: 321.4oC at 760mmHg, melting point: 138-142oC(lit.).
[Uses] 4-Nitro-2-(trifluoromethyl)benzoic acid is mainly used as an important pharmaceutical and pesticide intermediate.
[Preparation] 4-Nitro-2-(trifluoromethyl)benzoic acid can be obtained by reacting 2-trifluoromethylbenzocyanide and nitrating agent as raw materials.

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