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870704-02-2

870704-02-2 Structure

870704-02-2 Structure
IdentificationBack Directory
[Name]

1-(4-CHLOROPHENYL)-3-PHENYLPYRAZOLE-4-P&
[CAS]

870704-02-2
[Synonyms]

1H-Pyrazole-4-propanoic acid, 1-(4-chlorophenyl)-3-phenyl-
JR-6870, 3-(1-(4-Chlorophenyl)-3-phenyl-1H-pyrazol-4-yl)propanoic acid, 97%
[Molecular Formula]

C18H15ClN2O2
[MDL Number]

MFCD07784413
[MOL File]

870704-02-2.mol
[Molecular Weight]

326.78
Chemical PropertiesBack Directory
[Melting point ]

136-140 °C
[Boiling point ]

530.3±50.0 °C(Predicted)
[density ]

1.27±0.1 g/cm3(Predicted)
[form ]

solid
[pka]

4.45±0.10(Predicted)
[InChI]

1S/C18H15ClN2O2/c19-15-7-9-16(10-8-15)21-12-14(6-11-17(22)23)18(20-21)13-4-2-1-3-5-13/h1-5,7-10,12H,6,11H2,(H,22,23)
[InChIKey]

GMSVFODLMTZECM-UHFFFAOYSA-N
[SMILES]

OC(=O)CCc1cn(nc1-c2ccccc2)-c3ccc(Cl)cc3
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36
[Safety Statements ]

26-36
[WGK Germany ]

3
[Storage Class]

13 - Non Combustible Solids
[Hazard Classifications]

Aquatic Chronic 4
Eye Irrit. 2
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