Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 2-chloro-3,5-dinitrobenzoate |
EINECS | N/A |
CAS No. | 2213-79-8 | Density | 1.599 g/cm3 |
PSA | 117.94000 | LogP | 2.98940 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
NSC 66543; |
Article Data | 10 |
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