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2-Methylpropyl 4-chloro-3,5-dinitrobenzoate

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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 Molecular Structure of 58263-53-9 (4-CHLORO-3,5-DINITRO-BENZOIC ACID ISOBUTYL ESTER) Hazard Symbols N/A
Synonyms

4-Chloro-3,5-dinitrobenzoicacid isobutyl ester;

Article Data 1

2-Methylpropyl 4-chloro-3,5-dinitrobenzoate Specification

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

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