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845885-90-7

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845885-90-7 Structure

845885-90-7 Structure
IdentificationBack Directory
[Name]

4-FLUORO-3-FORMYL-BENZOIC ACID
[CAS]

845885-90-7
[Synonyms]

4-FLUORO-3-FORMYL-BENZOIC ACID
Benzoic acid, 4-fluoro-3-formyl-
4-Fluoro-3-formylbenzoic acid 97%
[Molecular Formula]

C8H5FO3
[MDL Number]

MFCD06411555
[MOL File]

845885-90-7.mol
[Molecular Weight]

168.12
Chemical PropertiesBack Directory
[Melting point ]

152 °C
[Boiling point ]

332.3±27.0 °C(Predicted)
[density ]

1.426±0.06 g/cm3(Predicted)
[pka]

3.79±0.10(Predicted)
[InChI]

InChI=1S/C8H5FO3/c9-7-2-1-5(8(11)12)3-6(7)4-10/h1-4H,(H,11,12)
[InChIKey]

SKPWEADPCJMLID-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=C(F)C(C=O)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22
[HS Code ]

2916399090
Spectrum DetailBack Directory
[Spectrum Detail]

4-FLUORO-3-FORMYL-BENZOIC ACID(845885-90-7)1HNMR
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