Ethyl 5-nitrobenzofuran-2-carboxylate supplier

Name
ETHYL 5-NITROBENZOFURAN-2-CARBOXYLATE
EINECS
CAS No. 69404-00-8
Density 1.363 g/cm³
Solubility
Melting Point 150-155 °C
Formula C₁₁H₉NO₅
Boiling Point 359.698 °C at 760 mmHg
Molecular Weight 235.19
Flash Point 171.34 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 5-nitrobenzo[b]furan-2-carboxylate;5-Nitrobenzofuran-2-carboxylic acid ethyl ester;
PSA 85.26000
LogP 3.04090

Ethyl 5-nitrobenzofuran-2-carboxylate Specification

The CAS register number of 2-Benzofurancarboxylicacid, 5-nitro-, ethyl ester is 69604-00-8. It also can be called as 5-Nitro-2-benzofurancarboxylicacid ethyl ester and the IUPAC name about this chemical is ethyl 5-nitro-1-benzofuran-2-carboxylate. The molecular formula about this chemical is C₁₁H₉NO₅ and the molecular weight is 235.19. It belongs to the following product categories which include Esters; Fused Ring Systems and so on.

Physical properties about 2-Benzofurancarboxylicacid, 5-nitro-, ethyl ester are: (1)ACD/LogP: 2.78; (2)ACD/LogD (pH 5.5): 2.78; (3)ACD/LogD (pH 7.4): 2.78; (4)ACD/BCF (pH 5.5): 76.89; (5)ACD/BCF (pH 7.4): 76.89; (6)ACD/KOC (pH 5.5): 778.97; (7)ACD/KOC (pH 7.4): 778.97; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 85.26Å²; (11)Index of Refraction: 1.603; (12)Molar Refractivity: 59.34 cm³; (13)Molar Volume: 172.5 cm³; (14)Polarizability: 23.52x10^-24cm³; (15)Surface Tension: 52.7 dyne/cm; (16)Enthalpy of Vaporization: 60.53 kJ/mol; (17)Boiling Point: 359.7 °C at 760 mmHg; (18)Vapour Pressure: 2.34E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2cc1c(oc(c1)C(=O)OCC)cc2
(2)InChI: InChI=1/C11H9NO5/c1-2-16-11(13)10-6-7-5-8(12(14)15)3-4-9(7)17-10/h3-6H,2H2,1H3
(3)InChIKey: ATHBGWVHAWGMAL-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C11H9NO5/c1-2-16-11(13)10-6-7-5-8(12(14)15)3-4-9(7)17-10/h3-6H,2H2,1H3
(5)Std. InChIKey: ATHBGWVHAWGMAL-UHFFFAOYSA-N

Product Name

ETHYL 5-NITROBENZOFURAN-2-CARBOXYLATE

Ethyl 5-nitrobenzofuran-2-carboxylate Specification

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