Benzoicacid, 4-methyl-3,5-dinitro-, methyl ester supplier

Name
4-METHYL-3,5-DINITRO METHYL BENZOATE
EINECS
CAS No. 49592-71-4
Article Data14
CAS DataBase
Density 1.435 g/cm³
Solubility
Melting Point
Formula C₉H₈N₂O₆
Boiling Point 359.8 °C at 760 mmHg
Molecular Weight 240.172
Flash Point 167 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Methyl-3,5-dinitrobenzoicacid methyl ester;Methyl 4-methyl-3,5-dinitrobenzoate;
PSA 117.94000
LogP 2.64440

Benzoicacid, 4-methyl-3,5-dinitro-, methyl ester Specification

The Benzoicacid, 4-methyl-3,5-dinitro-, methyl esteris is an organic compound with the formula C₉H₈N₂O₆. Its CAS registry number is 49592-71-4. The IUPAC name of this chemical is Methyl 4-methyl-3,5-dinitrobenzoate. In addition, the molecular weight is 240.17. It belongs to the product categories of Acids and Derivatives.

Physical properties about Benzoicacid, 4-methyl-3,5-dinitro-, methyl ester are: (1)ACD/LogP: 1.84; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 1.84; (5)ACD/BCF (pH 5.5): 14.72; (6)ACD/BCF (pH 7.4): 14.72; (7)ACD/KOC (pH 5.5): 238.58; (8)ACD/KOC (pH 7.4): 238.58; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 117.94 Å²; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 55.94 cm³; (15)Molar Volume: 167.2 cm³; (16)Polarizability: 22.17×10^-24 cm³; (17)Surface Tension: 57.5 dyne/cm; (18)Density: 1.435 g/cm³; (19)Flash Point: 167 °C; (20)Enthalpy of Vaporization: 60.54 kJ/mol; (21)Boiling Point: 359.8 °C at 760 mmHg; (22)Vapour Pressure: 2.32E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1C)C(=O)OC
(2) InChI: InChI=1/C9H8N2O6/c1-5-7(10(13)14)3-6(9(12)17-2)4-8(5)11(15)16/h3-4H,1-2H3
(3) InChIKey: GQPWXQIRPQMEIJ-UHFFFAOYAQ

Product Name

4-METHYL-3,5-DINITRO METHYL BENZOATE

Benzoicacid, 4-methyl-3,5-dinitro-, methyl ester Specification

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