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Cas Database |
| Name |
2-Phenyl-2H-1,2,3-triazole-4-carboxylic acid |
EINECS | N/A |
| CAS No. | 13306-99-5 | Density | 1.39 g/cm3 |
| PSA | 68.01000 | LogP | 0.96550 |
| Solubility | N/A | Melting Point |
193-195 °C |
| Formula | C9H7N3O2 | Boiling Point | 433 °C at 760 mmHg |
| Molecular Weight | 189.173 | Flash Point | 215.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Phenyl-1,2,3-triazole-4-carboxylicacid;2-Phenyl-4-carboxy-1,2,3(2H)-triazole;4-Carboxy-2-phenyl-1,2,3(2H)-triazole; |
Article Data | 17 |
2-Phenyl-2H-1,2,3-triazole-4-carboxylic acid Chemical Properties
IUPAC Name: 2-phenyltriazole-4-carboxylate
Synonyms of 2-Phenyl-1,2,3-triazole-4-carboxylic acid (CAS NO.13306-99-5): 2-phenyl-2H-1,2,3-triazole-4-carboxylic acid ; 2-Phenyl-4-carboxy-1,2,3(2H)-triazole ; 4-Carboxy-2-phenyl-1,2,3(2H)-triazole
CAS NO: 13306-99-5
Molecular Formula: C9H7N3O2
Molecular Weight: 189.1708
Molecular Structure: .png)
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 57.01 Å2
Index of Refraction: 1.673
Molar Refractivity: 50.69 cm3
Molar Volume: 135.2 cm3
Surface Tension: 60.5 dyne/cm
Density: 1.39 g/cm3
Flash Point: 215.7 °C
Enthalpy of Vaporization: 72.61 kJ/mol
Boiling Point: 433 °C at 760 mmHg
Vapour Pressure: 2.89E-08 mmHg at 25°C
SMILES: O=C(O)c1nn(nc1)c2ccccc2
InChI: InChI=1/C9H7N3O2/c13-9(14)8-6-10-12(11-8)7-4-2-1-3-5-7/h1-6H,(H,13,14)
InChIKey: MXZFAZWAEXCZTR-UHFFFAOYAD
Std. InChI: InChI=1S/C9H7N3O2/c13-9(14)8-6-10-12(11-8)7-4-2-1-3-5-7/h1-6H,(H,13,14)
Std. InChIKey: MXZFAZWAEXCZTR-UHFFFAOYSA-N
Product Categories of 2-Phenyl-1,2,3-triazole-4-carboxylic acid (CAS NO.13306-99-5): Triazole Derivatives
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