Benzoic acid, 3-nitro-, ethyl ester supplier

Name
ETHYL 3-NITROBENZOATE
EINECS 210-574-6
CAS No. 618-98-4
Article Data92
CAS DataBase
Density 1.253 g/cm³
Solubility
Melting Point 41 °C
Formula C₉H₉NO₄
Boiling Point 298.7 °C at 760 mmHg
Molecular Weight 195.175
Flash Point 137 °C
Transport Information
Appearance solid
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoicacid, m-nitro-, ethyl ester (6CI,7CI,8CI);3-Nitrobenzoic acid ethyl ester;Ethyl 3-nitrobenzoate;Ethyl m-nitrobenzoate;NSC 32740;NSC 6762;
PSA 72.12000
LogP 2.29470

Benzoic acid, 3-nitro-, ethyl ester Specification

This chemical is called Benzoic acid, 3-nitro-, ethyl ester, and its CAS registry number is 618-98-4. With the molecular formula of C₉H₉NO₄, its molecular weight is 195.17. Additionally, its product category is Aromatic Esters.

Other characteristics of the Benzoic acid, 3-nitro-, ethyl ester can be summarised as followings: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.35; (5)#H bond acceptors: 5; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 72.12 Å²; (9)Index of Refraction: 1.544; (10)Molar Refractivity: 49.2 cm³; (11)Molar Volume: 155.6 cm³; (12)Polarizability: 19.5×10^-24cm³; (13)Surface Tension: 46.9 dyne/cm; (14)Density: 1.253 g/cm³; (15)Flash Point: 137 °C; (16)Enthalpy of Vaporization: 53.86 kJ/mol; (17)Boiling Point: 298.7 °C at 760 mmHg; (18)Vapour Pressure: 0.00125 mmHg at 25°C.

Production method of this chemical: The Benzoic acid, 3-nitro-, ethyl ester could be obtained by the reactants of 3-nitro-benzoic acid and ethanol. This reaction needs the reagent of hydrogen chloride.

When you are using this chemical, please be cautious about it as the following: Don't breathe dust. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
1.SMILES: O=[N+]([O-])c1cc(ccc1)C(=O)OCC
2.InChI: InChI=1/C9H9NO4/c1-2-14-9(11)7-4-3-5-8(6-7)10(12)13/h3-6H,2H2,1H3
3.InChIKey: MKBIJCPQTPFQKQ-UHFFFAOYAR

Product Name

ETHYL 3-NITROBENZOATE

Benzoic acid, 3-nitro-, ethyl ester Specification

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