| Identification | |
| Name: | 1H-Benzotriazole-6-carboxylicacid, ethyl ester |
| Synonyms: | 1H-Benzotriazole-5-carboxylicacid, ethyl ester (9CI);Benzotriazole-5-carboxylic acid, ethyl ester (6CI);Ethyl 1H-benzotriazole-5-carboxylate;Ethyl benzotriazole-5-carboxylate; |
| CAS: | 73605-91-1 |
| Molecular Formula: | C9H9N3O2 |
| Molecular Weight: | 191.19 |
| InChI: | InChI=1/C9H9N3O2/c1-2-14-9(13)6-3-4-7-8(5-6)11-12-10-7/h3-5H,2H2,1H3,(H,10,11,12) |
| Molecular Structure: |  |
| Properties | |
| Melting Point: | 108-109 ºC |
| Density: | 1.339 |
| Refractive index: | 1.635 |
| Specification: |
The CAS register number of Ethyl benzotriazole-5-carboxylate is 73605-91-1. It also can be called as 1H-Benzotriazole-5-carboxylic acid ethyl ester and the systematic name about this chemical is ethyl 2H-benzotriazole-5-carboxylate. The molecular formula about this chemical is C9H9N3O2 and the molecular weight is 191.19. Physical properties about Ethyl benzotriazole-5-carboxylate are: (1)ACD/LogP: 1.65; (2)ACD/LogD (pH 5.5): 1.84; (3)ACD/LogD (pH 7.4): 1.58; (4)ACD/BCF (pH 5.5): 14.81; (5)ACD/BCF (pH 7.4): 8.09; (6)ACD/KOC (pH 5.5): 238.89; (7)ACD/KOC (pH 7.4): 130.53; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 57.01Å2; (12)Index of Refraction: 1.635; (13)Molar Refractivity: 51.11 cm3; (14)Molar Volume: 142.7 cm3; (15)Polarizability: 20.26x10-24cm3; (16)Surface Tension: 63.9 dyne/cm; (17)Enthalpy of Vaporization: 60.21 kJ/mol; (18)Boiling Point: 356.8 °C at 760 mmHg; (19)Vapour Pressure: 2.85E-05 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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