Methyl 2-chloro-3,5-dinitrobenzoate supplier

Name
METHYL 2-CHLORO-3,5-DINITROBENZOATE
EINECS
CAS No. 2213-79-8
Article Data10
CAS DataBase
Density 1.599 g/cm³
Solubility
Melting Point 90 °C
Formula C₈H₅ClN₂O₆
Boiling Point 384.9 °C at 760 mmHg
Molecular Weight 260.59
Flash Point 186.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 66543;
PSA 117.94000
LogP 2.98940

Methyl 2-chloro-3,5-dinitrobenzoate Specification

The Benzoic acid,2-chloro-3,5-dinitro-, methyl ester is the organic compound with the formula C₈H₅ClN₂O₆. With the CAS registry number 2213-79-8, its systematic name is methyl 2-chloro-3,5-dinitrobenzoate.

Physical properties of Benzoic acid,2-chloro-3,5-dinitro-, methyl ester: (1)ACD/LogP: 1.51; (2)#H bond acceptors: 8; (3)#Freely Rotating Bonds: 4; (4)Index of Refraction: 1.603; (5)Molar Refractivity: 56.01 cm³; (6)Molar Volume: 162.9 cm³; (7)Surface Tension: 62.9 dyne/cm; (8)Density: 1.599 g/cm³; (9)Flash Point: 186.6 °C; (10)Enthalpy of Vaporization: 63.37 kJ/mol; (11)Boiling Point: 384.9 °C at 760 mmHg; (12)Vapour Pressure: 3.95E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(cc(C(=O)OC)c1Cl)[N+]([O-])=O
(2)InChI: InChI=1/C8H5ClN2O6/c1-17-8(12)5-2-4(10(13)14)3-6(7(5)9)11(15)16/h2-3H,1H3
(3)InChIKey: RJQRHZYXGHSNKQ-UHFFFAOYAN

Product Name

METHYL 2-CHLORO-3,5-DINITROBENZOATE

Methyl 2-chloro-3,5-dinitrobenzoate Specification

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