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1017794-47-6

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1017794-47-6 Structure

1017794-47-6 Structure
IdentificationBack Directory
[Name]

4-(1H-PYRAZOL-4-YL)BENZOIC ACID
[CAS]

1017794-47-6
[Synonyms]

AKOS BAR-1968
4-(4-Pyrazolyl)benzoic Acid
4-(1H-PYRAZOL-4-YL)BENZOIC ACID
Benzoic acid, 4-(1H-pyrazol-4-yl)-
[Molecular Formula]

C10H8N2O2
[MDL Number]

MFCD06803014
[MOL File]

1017794-47-6.mol
[Molecular Weight]

188.18
Chemical PropertiesBack Directory
[Boiling point ]

471.5±38.0 °C(Predicted)
[density ]

1.355±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[form ]

solid
[pka]

4.09±0.10(Predicted)
[color ]

yellow
[InChI]

InChI=1S/C10H8N2O2/c13-10(14)8-3-1-7(2-4-8)9-5-11-12-6-9/h1-6H,(H,11,12)(H,13,14)
[InChIKey]

ZGICHEMKLPXWPZ-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=C(C2=CNN=C2)C=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[HS Code ]

2933199090
Hazard InformationBack Directory
[Uses]

4-(1H-PYRAZOL-4-YL)BENZOIC ACID is used as a ligand in the synthesis of MOF materials.
Spectrum DetailBack Directory
[Spectrum Detail]

4-(1H-PYRAZOL-4-YL)BENZOIC ACID(1017794-47-6)1HNMR
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