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Name |
5-Methyl-1-phenyl-1H-[1,2,3]triazole-4-carboxylic acid |
EINECS | N/A |
CAS No. | 20725-32-0 | Density | 1.35 g/cm3 |
PSA | 68.01000 | LogP | 1.27390 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H9N3O2 | Boiling Point | 432.9 °C at 760 mmHg |
Molecular Weight | 203.2 | Flash Point | 215.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylicacid;NSC 133540; |
Article Data | 17 |
This chemical is called 5-Methyl-1-phenyl-1H-[1,2,3]triazole-4-carboxylic acid, and it can also be named as 1H-1,2,3-triazole-4-carboxylic acid, 5-methyl-1-phenyl-. With the molecular formula of C10H9N3O2, its molecular weight is 203.20. The CAS registry number of this chemical is 20725-32-0.
Other characteristics of the 5-Methyl-1-phenyl-1H-[1,2,3]triazole-4-carboxylic acid can be summarised as followings: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.18; (4)ACD/LogD (pH 7.4): -1.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.04; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 57.01 Å2; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 55.11 cm3; (15)Molar Volume: 150.4 cm3; (16)Polarizability: 21.84×10-24cm3; (17)Surface Tension: 54.2 dyne/cm; (18)Density: 1.35 g/cm3; (19)Flash Point: 215.6 °C; (20)Enthalpy of Vaporization: 72.6 kJ/mol; (21)Boiling Point: 432.9 °C at 760 mmHg; (22)Vapour Pressure: 2.91E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c2nnn(c1ccccc1)c2C
2.InChI: InChI=1/C10H9N3O2/c1-7-9(10(14)15)11-12-13(7)8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15)
3.InChIKey: RRHCZOBPABYIJZ-UHFFFAOYAA