Ethyl benzofurazan-5-carboxylate supplier

Name
ETHYL BENZOFURAZAN-5-CARBOXYLATE
EINECS
CAS No. 36389-07-8
Article Data3
CAS DataBase
Density 1.305 g/cm³
Solubility
Melting Point
Formula C₉H₈N₂O₃
Boiling Point 289.5 °C at 760 mmHg
Molecular Weight 192.174
Flash Point 128.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 5-Benzofurazancarboxylicacid, ethyl ester;5-Ethoxycarbonylbenzofurazan;
PSA 65.22000
LogP 1.39950

Ethyl benzofurazan-5-carboxylate Specification

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

Product Name

ETHYL BENZOFURAZAN-5-CARBOXYLATE

Ethyl benzofurazan-5-carboxylate Specification

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