Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethyl benzotriazole-5-carboxylate |
EINECS | N/A |
CAS No. | 73605-91-1 | Density | 1.339 g/cm3 |
PSA | 67.87000 | LogP | 1.13460 |
Solubility | N/A | Melting Point |
108-109 °C |
Formula | C9H9N3O2 | Boiling Point | 356.8 °C at 760 mmHg |
Molecular Weight | 191.189 | Flash Point | 169.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-Benzotriazole-5-carboxylicacid, ethyl ester (9CI);Benzotriazole-5-carboxylic acid, ethyl ester (6CI);Ethyl 1H-benzotriazole-5-carboxylate;Ethyl benzotriazole-5-carboxylate; |
Article Data | 11 |
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:
(1)SMILES: O=C(OCC)c1ccc2nnnc2c1
(2)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)
(3)InChIKey: INHQGDXFYZBMFS-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/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)
(5)Std. InChIKey: INHQGDXFYZBMFS-UHFFFAOYSA-N