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| CAS No.: | 7510-56-7 |
|---|---|
| Name: | 4-Phenyl-1H-pyrazole-3-carboxylic acid |
| Molecular Structure: | |
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| Formula: | C10H8N2O2 |
| Molecular Weight: | 188.186 |
| 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; |
| Density: | 1.355 g/cm3 |
| Boiling Point: | 431.8 °C at 760 mmHg |
| Flash Point: | 214.9 °C |
| PSA: | 65.98000 |
| LogP: | 1.77490 |
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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