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699-90-1

699-90-1 Structure

699-90-1 Structure
IdentificationMore
[Name]

3-FLUORO-2-METHYLBENZOIC ACID
[CAS]

699-90-1
[Synonyms]

2-METHYL-3-FLUORO BENZOIC ACID
3-FLUORO-2-METHYLBENZOIC ACID
RARECHEM AL BO 2282
2-Methyl-3-Fluoro Benzoic Acid 3-Fluoro-2-Methyl Benzoic Acid
3-Fluoro-2-methylbenzoci acid
[Molecular Formula]

C8H7FO2
[MDL Number]

MFCD00075246
[Molecular Weight]

154.14
[MOL File]

699-90-1.mol
Chemical PropertiesBack Directory
[Melting point ]

158-160 °C (lit.)
[Boiling point ]

261.2±20.0 °C(Predicted)
[density ]

1.258±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

crystalline powder
[pka]

3.61±0.10(Predicted)
[color ]

White
[InChI]

InChI=1S/C8H7FO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11)
[InChIKey]

XMKZAIHFVHJGPV-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=CC(F)=C1C
[CAS DataBase Reference]

699-90-1(CAS DataBase Reference)
Safety DataBack Directory
[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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

2916399090
Hazard InformationBack Directory
[Chemical Properties]

off white powder
[Uses]

3-Fluoro-2-methylbenzoic acid was used in the GC-MS detection of metabolites from cell cultures containing 6-fluoro-3-methylphenol.
[General Description]

3-Fluoro-2-methylbenzoic acid is an aryl fluorinated building block.
Spectrum DetailBack Directory
[Spectrum Detail]

3-FLUORO-2-METHYLBENZOIC ACID(699-90-1)1HNMR
3-FLUORO-2-METHYLBENZOIC ACID(699-90-1)Raman
3-FLUORO-2-METHYLBENZOIC ACID(699-90-1)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

699-90-1(sigmaaldrich)
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