ChemicalBook--->CAS DataBase List--->98187-15-6

98187-15-6

98187-15-6 Structure

98187-15-6 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

22-36-43
[Safety Statements ]

26-36
[WGK Germany ]

3
[Hazard Note ]

Irritant
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-Bromo-5-nitrobenzotrifluoride-->4-Nitro-2-(trifluoromethyl)benzoic acid-->2-Bromobenzotrifluoride
Hazard InformationBack 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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