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850375-11-0

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850375-11-0 Structure

850375-11-0 Structure
IdentificationBack Directory
[Name]

3-(1H-PYRAZOL-3-YL)BENZOIC ACID
[CAS]

850375-11-0
[Synonyms]

BUTTPARK 44\01-87
3-(1H-PYRAZOL-3-YL)BENZOIC ACID
5-(3-Carboxyphenyl)-1H-pyrazole
3-(3-Carboxyphenyl)-1H-pyrazole
3-(2H-Pyrazol-3-yl)-benzoicacid
3-(1H-Pyrazol-3-yl)benzoicacid97%
Benzoic acid, 3-(1H-pyrazol-3-yl)-
3-(1-hydro-3-pyrazolyl)benzoic acid
3-(1H-Pyrazol-3-yl)benzoic acid, CAS 850375-11-0
[Molecular Formula]

C10H8N2O2
[MDL Number]

MFCD03407956
[MOL File]

850375-11-0.mol
[Molecular Weight]

188.18
Chemical PropertiesBack Directory
[Melting point ]

204 °C
[Boiling point ]

496.5±28.0 °C(Predicted)
[density ]

1.355
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

3.95±0.10(Predicted)
[InChI]

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

RXZRBZWATRFHCS-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=CC(C2C=CNN=2)=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 ]

Xn
[Risk Statements ]

22
[Hazard Note ]

Harmful
[HS Code ]

2933199090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Sodium hydroxide-->Ethyl acetate-->Tetrahydrofuran-->N,N-Dimethylformamide-->Potassium carbonate-->Pyrazole-->Citric acid monohydrate-->Ethyl 3-fluorobenzoate
Spectrum DetailBack Directory
[Spectrum Detail]

3-(1H-PYRAZOL-3-YL)BENZOIC ACID(850375-11-0)1HNMR
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