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Name |
Ethyl benzofurazan-5-carboxylate |
EINECS | N/A |
CAS No. | 36389-07-8 | Density | 1.305 g/cm3 |
PSA | 65.22000 | LogP | 1.39950 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H8N2O3 | Boiling Point | 289.5 °C at 760 mmHg |
Molecular Weight | 192.174 | Flash Point | 128.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
5-Benzofurazancarboxylicacid, ethyl ester;5-Ethoxycarbonylbenzofurazan; |
Article Data | 3 |
The CAS register number of Ethyl benzofurazan-5-carboxylate is 36389-07-8. It also can be called as 2,1,3-Benzoxadiazole-5-carboxylic acid ethyl ester and the systematic name about this chemical is ethyl 2,1,3-benzoxadiazole-5-carboxylate.
Physical properties about Ethyl benzofurazan-5-carboxylate are: (1)ACD/LogP: 2.20; (2)ACD/LogD (pH 5.5): 2.2; (3)ACD/LogD (pH 7.4): 2.2; (4)ACD/BCF (pH 5.5): 27.62; (5)ACD/BCF (pH 7.4): 27.62; (6)ACD/KOC (pH 5.5): 374.34; (7)ACD/KOC (pH 7.4): 374.34; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 65.22Å2; (11)Index of Refraction: 1.579; (12)Molar Refractivity: 48.98 cm3; (13)Molar Volume: 147.1 cm3; (14)Polarizability: 19.41x10-24cm3; (15)Surface Tension: 53.4 dyne/cm; (16)Enthalpy of Vaporization: 52.88 kJ/mol; (17)Boiling Point: 289.5 °C at 760 mmHg; (18)Vapour Pressure: 0.0022 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1ccc2nonc2c1
(2)InChI: InChI=1/C9H8N2O3/c1-2-13-9(12)6-3-4-7-8(5-6)11-14-10-7/h3-5H,2H2,1H3
(3)InChIKey: ZTZZIZQMAQKOPC-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H8N2O3/c1-2-13-9(12)6-3-4-7-8(5-6)11-14-10-7/h3-5H,2H2,1H3
(5)Std. InChIKey: ZTZZIZQMAQKOPC-UHFFFAOYSA-N