1H-Pyrazole-3-carboxylicacid, 4-phenyl- supplier

Name
4-Phenyl-1H-pyrazole-3-carboxylic acid
EINECS
CAS No. 7510-56-7
Article Data9
CAS DataBase
Density 1.355 g/cm³
Solubility
Melting Point
Formula C₁₀H₈N₂O₂
Boiling Point 431.8 °C at 760 mmHg
Molecular Weight 188.186
Flash Point 214.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Phenyl-pyrazol-3(5)-carbonsaeure;1-phenyl-4-(2,3,5,6-tetramethyl-phenyl)-phthalazine;4-Phenyl-1-(1,3,5,6-tetramethylphenyl)phthalazin;4-Phenyl-pyrazol-carbonsaeure-(3);4-Phenyl-1(2)H-pyrazol-3-carbonsaeure;4-phenyl-1H-pyrazole-3-carboxylic acid;4-Phenyl-pyrazol-3-carbonsaeure;Phthalazine,1-phenyl-4-(2,3,5,6-tetramethylphenyl);4-phenyl-1(2)H-pyrazole-3-carboxylic acid;
PSA 65.98000
LogP 1.77490

1H-Pyrazole-3-carboxylicacid, 4-phenyl- Specification

The 1H-Pyrazole-3-carboxylicacid, 4-phenyl- has CAS registry number 7510-56-7. This chemical's molecular formula is C₁₀H₈N₂O₂ and molecular weight is 188.18. What's more, its IUPAC name is 4-phenyl-1H-pyrazole-5-carboxylic acid.

Physical properties of 1H-Pyrazole-3-carboxylicacid, 4-phenyl- are: (1)ACD/LogP: 1.10; (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: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 44.12 Å²; (11)Index of Refraction: 1.644; (12)Molar Refractivity: 50.29 cm³; (13)Molar Volume: 138.7 cm³; (14)Polarizability: 19.94×10^-24cm³; (15)Surface Tension: 66.6 dyne/cm; (16)Density: 1.355 g/cm³; (17)Flash Point: 214.9 °C; (18)Enthalpy of Vaporization: 72.46 kJ/mol; (19)Boiling Point: 431.8 °C at 760 mmHg; (20)Vapour Pressure: 3.2E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2c(c1ccccc1)cnn2
(2)Std. InChI: InChI=1S/C10H8N2O2/c13-10(14)9-8(6-11-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
(3)Std. InChIKey: LVFUUWLMDUOBLC-UHFFFAOYSA-N

Product Name

4-Phenyl-1H-pyrazole-3-carboxylic acid

1H-Pyrazole-3-carboxylicacid, 4-phenyl- Specification

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