Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Methyl-5-phenyl-2H-pyrazole-3-carboxylic acid |
EINECS | N/A |
CAS No. | 10250-64-3 | Density | 1.24 g/cm3 |
PSA | 55.12000 | LogP | 1.78530 |
Solubility | N/A | Melting Point |
186 °C |
Formula | C11H10N2O2 | Boiling Point | 419.6 °C at 760 mmHg |
Molecular Weight | 202.213 | Flash Point | 207.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22-36 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
Pyrazole-5-carboxylicacid, 1-methyl-3-phenyl- (7CI,8CI);1-Methyl-3-phenyl-1H-pyrazole-5-carboxylicacid;2-Methyl-5-phenyl-2H-pyrazole-3-carboxylic acid; |
Article Data | 8 |
The 1H-Pyrazole-5-carboxylicacid, 1-methyl-3-phenyl-, with the CAS registry number 10250-64-3, is also known as 2-Methyl-5-phenyl-2H-pyrazole-3-carboxylic acid. This chemical's molecular formula is C11H10N2O2 and molecular weight is 202.21. What's more, its systematic name is 1-Methyl-3-phenyl-1H-pyrazole-5-carboxylic acid.
Physical properties of 1H-Pyrazole-5-carboxylicacid, 1-methyl-3-phenyl- are: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.65; (4)ACD/LogD (pH 7.4): -1.34; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.12 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 56.66 cm3; (15)Molar Volume: 161.8 cm3; (16)Polarizability: 22.46×10-24 cm3; (17)Surface Tension: 48.5 dyne/cm; (18)Density: 1.24 g/cm3; (19)Flash Point: 207.6 °C; (20)Enthalpy of Vaporization: 70.99 kJ/mol; (21)Boiling Point: 419.6 °C at 760 mmHg; (22)Vapour Pressure: 8.62E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(nn1C)c2ccccc2
(2)InChI: InChI=1/C11H10N2O2/c1-13-10(11(14)15)7-9(12-13)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15)
(3)InChIKey: RTBQZMPYPFQBHA-UHFFFAOYAK