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46413-66-5

46413-66-5 Structure

46413-66-5 Structure
IdentificationBack Directory
[Name]

3-(4-BROMOPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
[CAS]

46413-66-5
[Synonyms]

AKOS BBS-00002674
3-(4-BROMOPHENYL)-1H-PYRAZOLE-5-CARBOXY&
3-(4-Bromophenyl)pyrazole-5-carboxylic Acid
3-(4-BROMOPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
1H-Pyrazole-3-carboxylic acid, 5-(4-bromophenyl)-
[Molecular Formula]

C10H7BrN2O2
[MDL Number]

MFCD06200702
[MOL File]

46413-66-5.mol
[Molecular Weight]

267.08
Chemical PropertiesBack Directory
[Melting point ]

258-262 °C (lit.)
[Boiling point ]

535.9±40.0 °C(Predicted)
[density ]

1.723±0.06 g/cm3(Predicted)
[form ]

solid
[pka]

3.83±0.10(Predicted)
[InChI]

1S/C10H7BrN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
[InChIKey]

QEOVHDPWTQAMLB-UHFFFAOYSA-N
[SMILES]

OC(=O)c1cc(n[nH]1)-c2ccc(Br)cc2
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[Safety Statements ]

36
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
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