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Name |
2-Methylpropyl 4-chloro-3,5-dinitrobenzoate |
EINECS | N/A |
CAS No. | 58263-53-9 | Density | 1.421 g/cm3 |
PSA | 117.94000 | LogP | 4.01560 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H11ClN2O6 | Boiling Point | 406.3 °C at 760 mmHg |
Molecular Weight | 302.671 | Flash Point | 199.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Chloro-3,5-dinitrobenzoicacid isobutyl ester; |
Article Data | 1 |
This chemical is called 2-Methylpropyl 4-chloro-3,5-dinitrobenzoate, and it can also be named as Isobutyl 4-chloro-3,5-dinitrobenzoate. With the molecular formula of C11H11ClN2O6, its molecular weight is 302.67. The CAS registry number of this chemical is 58263-53-9.
Other characteristics of the 2-Methylpropyl 4-chloro-3,5-dinitrobenzoate can be summarised as followings: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 8; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 117.94 Å2; (7)Index of Refraction: 1.57; (8)Molar Refractivity: 69.86 cm3; (9)Molar Volume: 212.8 cm3; (10)Polarizability: 27.69×10-24cm3; (11)Surface Tension: 53.5 dyne/cm; (12)Density: 1.421 g/cm3; (13)Flash Point: 199.5 °C; (14)Enthalpy of Vaporization: 65.8 kJ/mol; (15)Boiling Point: 406.3 °C at 760 mmHg; (16)Vapour Pressure: 8.22E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1Cl)C(=O)OCC(C)C
2.InChI: InChI=1/C11H11ClN2O6/c1-6(2)5-20-11(15)7-3-8(13(16)17)10(12)9(4-7)14(18)19/h3-4,6H,5H2,1-2H3
3.InChIKey:MHWMKXCBVGGVSX-UHFFFAOYAJ