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1736-21-6

1736-21-6 Structure

1736-21-6 Structure
IdentificationBack Directory
[Name]

3-(4-FLUOROPHENYL)-5-METHYL-4-ISOXAZOLECARBOXYLIC ACID
[CAS]

1736-21-6
[Synonyms]

BUTTPARK 99\12-50
3-(4-Fluorophenyl)-5-methylisoxazol-4-carboxylic Acid
3-(4-FLUOROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLIC ACID
3-(4-FLUOROPHENYL)-5-METHYL-4-ISOXAZOLECARBOXYLIC ACID
4-Isoxazolecarboxylic acid, 3-(4-fluorophenyl)-5-Methyl-
3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxylicacid,97%
JR-8143, 3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxylic acid, 97%
[Molecular Formula]

C11H8FNO3
[MDL Number]

MFCD03407356
[MOL File]

1736-21-6.mol
[Molecular Weight]

221.18
Chemical PropertiesBack Directory
[Melting point ]

198-202 °C
[Boiling point ]

361.6±37.0 °C(Predicted)
[density ]

1.350±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

2.12±0.25(Predicted)
[color ]

White to Almost white
[Sensitive ]

Moisture & Light Sensitive
[InChI]

InChI=1S/C11H8FNO3/c1-6-9(11(14)15)10(13-16-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15)
[InChIKey]

PDEGBONVUJDOFN-UHFFFAOYSA-N
[SMILES]

O1C(C)=C(C(O)=O)C(C2=CC=C(F)C=C2)=N1
[CAS DataBase Reference]

1736-21-6
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
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37/39
[WGK Germany ]

3
[HS Code ]

2934999090
Spectrum DetailBack Directory
[Spectrum Detail]

3-(4-FLUOROPHENYL)-5-METHYL-4-ISOXAZOLECARBOXYLIC ACID(1736-21-6)1HNMR
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