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108446-80-6

108446-80-6 Structure

108446-80-6 Structure
IdentificationBack Directory
[Name]

3-(4-BROMOPHENYL)-1-PHENYLPYRAZOLE-4-PROPIONIC ACID
[CAS]

108446-80-6
[Synonyms]

3-(4-BROMOPHENYL)-1-PHENYLPYRAZOLE-4-PROPIONIC ACID
1H-Pyrazole-4-propanoic acid, 3-(4-bromophenyl)-1-phenyl-
3-(3-(4-BROMOPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL)PROPANOIC ACID
JR-6886, 3-(3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl)propanoic acid, 97%
[Molecular Formula]

C18H15BrN2O2
[MDL Number]

MFCD07784415
[MOL File]

108446-80-6.mol
[Molecular Weight]

371.23
Chemical PropertiesBack Directory
[Melting point ]

156-161 °C
[Boiling point ]

548.4±45.0 °C(Predicted)
[density ]

1.43±0.1 g/cm3(Predicted)
[form ]

solid
[pka]

4.44±0.10(Predicted)
[InChI]

1S/C18H15BrN2O2/c19-15-9-6-13(7-10-15)18-14(8-11-17(22)23)12-21(20-18)16-4-2-1-3-5-16/h1-7,9-10,12H,8,11H2,(H,22,23)
[InChIKey]

XQKUUAKMGDILQK-UHFFFAOYSA-N
[SMILES]

OC(=O)CCc1cn(nc1-c2ccc(Br)cc2)-c3ccccc3
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

13 - Non Combustible Solids
[Hazard Classifications]

Aquatic Chronic 4
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