1H-Pyrazole-5-carboxylicacid, 1-phenyl- supplier

Name
1-PHENYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
EINECS
CAS No. 1133-77-3
Article Data7
CAS DataBase
Density 1.28 g/cm³
Solubility
Melting Point 182 °C
Formula C₁₀H₈N₂O₂
Boiling Point 379.6 °C at 760 mmHg
Molecular Weight 188.186
Flash Point 183.4 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms Pyrazole-5-carboxylicacid, 1-phenyl- (6CI,7CI,8CI);1-Phenyl-5-pyrazolecarboxylic acid;2-Phenyl-2H-pyrazole-3-carboxylic acid;
PSA 55.12000
LogP 1.57050

1H-Pyrazole-5-carboxylicacid, 1-phenyl- Specification

The 1H-Pyrazole-5-carboxylicacid, 1-phenyl-, with the CAS registry number of 1133-77-3, is also known as 1-Phenyl-1H-pyrazole-5-carboxylic acid. This chemical's molecular formula is C₁₀H₈N₂O₂ and molecular weight is 188.18. What's more, its IUPAC name is 2-Phenylpyrazole-3-carboxylic acid. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 1H-Pyrazole-5-carboxylicacid, 1-phenyl- are: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 44.12 Å²; (11)Index of Refraction: 1.631; (12)Molar Refractivity: 52.24 cm³; (13)Molar Volume: 146.5 cm³; (14)Surface Tension: 53.2 dyne/cm; (15)Density: 1.28 g/cm³; (16)Flash Point: 183.4 °C; (17)Enthalpy of Vaporization: 66.21 kJ/mol; (18)Boiling Point: 379.6 °C at 760 mmHg; (19)Vapour Pressure: 1.93E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c2ccnn2c1ccccc1
(2) InChI: InChI=1/C10H8N2O2/c13-10(14)9-6-7-11-12(9)8-4-2-1-3-5-8/h1-7H,(H,13,14)
(3) InChIKey: FLYDUXCFCARXHI-UHFFFAOYAJ

Product Name

1-PHENYL-1H-PYRAZOLE-5-CARBOXYLIC ACID

1H-Pyrazole-5-carboxylicacid, 1-phenyl- Specification

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