Benzenepropanoic acid,2-nitro-b-oxo-, ethyl ester supplier

Name
ETHYL (2-NITROBENZOYL)ACETATE
EINECS
CAS No. 52119-39-8
Article Data12
CAS DataBase
Density 1.277 g/cm³
Solubility
Melting Point 30-34 °C(lit.)
Formula C₁₁H₁₁NO₅
Boiling Point 353.28 °C at 760 mmHg
Molecular Weight 237.212
Flash Point 155.31 °C
Transport Information
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, (o-nitrobenzoyl)-, ethyl ester (6CI,7CI);Ethyl (2-nitrobenzoyl)acetate;Ethyl (o-nitrobenzoyl)acetate;Ethyl 2-(2-nitrobenzoyl)acetate;Ethyl3-(2-nitrophenyl)-3-oxopropanoate;(o-Nitrobenzoyl)acetic acidethyl ester;2-Nitro-b-oxobenzenepropanoic acid ethyl ester;
PSA 89.19000
LogP 2.25390

Benzenepropanoic acid,2-nitro-b-oxo-, ethyl ester Specification

The CAS register number of Benzenepropanoic acid,2-nitro-b-oxo-, ethyl ester is 52119-39-8. It also can be called as Ethyl (2-nitrobenzoyl)acetate and the systematic name about this chemical is ethyl 3-(2-nitrophenyl)-3-oxopropanoate. The molecular formula about this chemical is C₁₁H₁₁NO₅ and the molecular weight is 237.21. It belongs to the following product categories which include C₁₀ to C₁₁; Carbonyl Compounds; Esters and so on.

Physical properties about Benzenepropanoic acid,2-nitro-b-oxo-, ethyl ester are: (1)ACD/LogP: 1.60; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 8; (5)ACD/BCF (pH 7.4): 8; (6)ACD/KOC (pH 5.5): 153; (7)ACD/KOC (pH 7.4): 152; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 89.19 Å²; (11)Index of Refraction: 1.542; (12)Molar Refractivity: 58.5 cm³; (13)Molar Volume: 185.808 cm³; (14)Polarizability: 23.191x10^-24cm³; (15)Surface Tension: 49.169 dyne/cm; (16)Density: 1.277 g/cm³; (17)Flash Point: 155.31 °C; (18)Enthalpy of Vaporization: 59.819 kJ/mol; (19)Boiling Point: 353.28 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccccc1C(=O)CC(=O)OCC
(2)InChI: InChI=1/C11H11NO5/c1-2-17-11(14)7-10(13)8-5-3-4-6-9(8)12(15)16/h3-6H,2,7H2,1H3
(3)InChIKey: OWZNCVIBJQPNEF-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C11H11NO5/c1-2-17-11(14)7-10(13)8-5-3-4-6-9(8)12(15)16/h3-6H,2,7H2,1H3
(5)Std. InChIKey: OWZNCVIBJQPNEF-UHFFFAOYSA-N

Product Name

ETHYL (2-NITROBENZOYL)ACETATE

Benzenepropanoic acid,2-nitro-b-oxo-, ethyl ester Specification

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