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321-12-0

321-12-0 Structure

321-12-0 Structure
IdentificationMore
[Name]

2-FLUORO-5-METHYLBENZOIC ACID
[CAS]

321-12-0
[Synonyms]

2-FLUORO-5-METHYLBENZOIC ACID
6-FLUORO-M-TOLUIC ACID
RARECHEM AL BO 1354
[Molecular Formula]

C8H7FO2
[MDL Number]

MFCD00092819
[Molecular Weight]

154.14
[MOL File]

321-12-0.mol
Chemical PropertiesBack Directory
[Melting point ]

160-162 °C (lit.)
[Boiling point ]

259.2±20.0 °C(Predicted)
[density ]

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

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

3.34±0.10(Predicted)
[color ]

White to Light yellow
[InChI]

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

UREMNBHWTNQTMS-UHFFFAOYSA-N
[SMILES]

Cc1ccc(F)c(c1)C(O)=O
[CAS DataBase Reference]

321-12-0(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 ]

29163990
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Uses]

2-Fluoro-5-methylbenzoic acid, an aryl fluorinated building block, is a fluorobenzoic acid derivative. It is formed as major product during the deprotonation of metallated fluorotoluenes by reacting with superbases.
[General Description]

2-Fluoro-5-methylbenzoic acid, an aryl fluorinated building block, is a fluorobenzoic acid derivative. It is formed as major product during the deprotonation of metallated fluorotoluenes by reacting with superbases.
Questions And AnswerBack Directory
[Application]

2-Fluoro-5-methylbenzoic acid is an organic intermediate that can be used to prepare a gastric acid secretion inhibitor and a potassium-competitive acid blocker (P-CAB) for the treatment of gastric acid-related diseases such as peptic ulcers.
Spectrum DetailBack Directory
[Spectrum Detail]

2-FLUORO-5-METHYLBENZOIC ACID(321-12-0)1HNMR
2-FLUORO-5-METHYLBENZOIC ACID(321-12-0)Raman
2-FLUORO-5-METHYLBENZOIC ACID(321-12-0)FT-IR
2-FLUORO-5-METHYLBENZOIC ACID(321-12-0)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

321-12-0(sigmaaldrich)
[TCI AMERICA]

2-Fluoro-5-methylbenzoic Acid(321-12-0)
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