ChemicalBook--->CAS DataBase List--->116465-48-6

116465-48-6

116465-48-6 Structure

116465-48-6 Structure
IdentificationBack Directory
[Name]

2,5-Difluoro-4-nitrobenzoic acid
[CAS]

116465-48-6
[Synonyms]

2,5-Difluoro-4-Nitrobenzenecar
2,5-DIFLUORO-4-NITROBENZOIC ACID
4-Carboxy-2,5-difluoronitrobenzene
2,5-Difluoro-4-nitrobenzoic acid 98%
2,5-Difluoro-4-nitrobenzenecarboxylic
2,5-DIFLUORO-4-NITROBENZENECARBOXYLIC ACID
[Molecular Formula]

C7H3F2NO4
[MDL Number]

MFCD03425705
[MOL File]

116465-48-6.mol
[Molecular Weight]

203.1
Chemical PropertiesBack Directory
[Melting point ]

147-148
[Boiling point ]

364.8±42.0 °C(Predicted)
[density ]

1.661±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Solid
[pka]

2.03±0.13(Predicted)
[color ]

White to pale green
[Water Solubility ]

Slightly soluble in water.
[InChI]

InChI=1S/C7H3F2NO4/c8-4-2-6(10(13)14)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)
[InChIKey]

GPTNSBLYGCZJQV-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC(F)=C([N+]([O-])=O)C=C1F
[CAS DataBase Reference]

116465-48-6
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-37-60
[Hazard Note ]

Irritant
[TSCA ]

No
[HazardClass ]

IRRITANT
[HS Code ]

2916399090
Hazard InformationBack Directory
[Uses]

2,5-Difluoro-4-nitrobenzoic acid is used as a pharmaceutical intermediate.
[Synthesis Reference(s)]

Journal of Medicinal Chemistry, 35, p. 2321, 1992 DOI: 10.1021/jm00090a024
Spectrum DetailBack Directory
[Spectrum Detail]

2,5-Difluoro-4-nitrobenzoic acid(116465-48-6)1HNMR
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