ChemicalBook--->CAS DataBase List--->247564-66-5

247564-66-5

247564-66-5 Structure

247564-66-5 Structure
IdentificationMore
[Name]

4,6-Difluoroindole-2-carboxylic acid
[CAS]

247564-66-5
[Synonyms]

4,6-DIFLUORO-1H-INDOLE-2-CARBOXYLIC ACID
4,6-DIFLUOROINDOLE-2-CARBOXYLIC ACID
4,6-DIFLUOROINDOLE-2-CARBOXYLIC ACID, 98+%
[Molecular Formula]

C9H5F2NO2
[MDL Number]

MFCD01863158
[Molecular Weight]

197.14
[MOL File]

247564-66-5.mol
Chemical PropertiesBack Directory
[Boiling point ]

414.7±40.0 °C(Predicted)
[density ]

1.605±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

4.25±0.30(Predicted)
[Appearance]

Off-white to light brown Solid
[Sensitive ]

Light Sensitive
[InChI]

InChI=1S/C9H5F2NO2/c10-4-1-6(11)5-3-8(9(13)14)12-7(5)2-4/h1-3,12H,(H,13,14)
[InChIKey]

OCHGGXDZJGAUEU-UHFFFAOYSA-N
[SMILES]

N1C2=C(C(F)=CC(F)=C2)C=C1C(O)=O
[CAS DataBase Reference]

247564-66-5(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[HS Code ]

2933998090
Hazard InformationBack Directory
[Uses]

4,6-Difluoroindole-2-carboxylic acid is an important fluorinated indole heterocyclic pharmaceutical intermediate, mainly used in new drug development. It can be used to synthesize indole candidate drugs with anti-inflammatory, anti-tumor and targeted biological activities.
Spectrum DetailBack Directory
[Spectrum Detail]

4,6-Difluoroindole-2-carboxylic acid(247564-66-5)1HNMR
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