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403-15-6

403-15-6 Structure

403-15-6 Structure
IdentificationMore
[Name]

4-FLUORO-3-METHYLBENZOIC ACID
[CAS]

403-15-6
[Synonyms]

4-FLUORO-3-METHYLBENZOIC ACID
4-FLUORO-M-TOLUIC ACID
RARECHEM AL BO 2279
4-Fluoro-3-methylbenzoic acid, 97+%
[EINECS(EC#)]

630-057-2
[Molecular Formula]

C8H7FO2
[MDL Number]

MFCD01631424
[Molecular Weight]

154.14
[MOL File]

403-15-6.mol
Chemical PropertiesBack Directory
[Appearance]

White to light yellow crystal powder
[Melting point ]

164-168 °C(lit.)
[Boiling point ]

266.3±20.0 °C(Predicted)
[density ]

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

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

4.21±0.10(Predicted)
[color ]

White to Almost white
[BRN ]

1936531
[InChI]

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

VOCCEVKUXUIHOI-UHFFFAOYSA-N
[SMILES]

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

403-15-6(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[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:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29163990
[Storage Class]

13 - Non Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

White to light yellow crystal powder
[Synthesis Reference(s)]

Journal of Medicinal Chemistry, 21, p. 38, 1978 DOI: 10.1021/jm00199a007
Spectrum DetailBack Directory
[Spectrum Detail]

4-FLUORO-3-METHYLBENZOIC ACID(403-15-6)1HNMR
4-FLUORO-3-METHYLBENZOIC ACID(403-15-6)19FNMR
4-FLUORO-3-METHYLBENZOIC ACID(403-15-6)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Fluoro-3-methylbenzoic acid, 97%(403-15-6)
[Sigma Aldrich]

403-15-6(sigmaaldrich)
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