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4160-54-7

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Basic Information
CAS No.: 4160-54-7
Name: 2,4-Dinitro-1-tert-butyl-benzene
Article Data: 13
Molecular Structure:
Molecular Structure of 4160-54-7 (2,4-Dinitro-1-tert-butyl-benzene)
Formula: C10H12N2O4
Molecular Weight: 224.216
Synonyms: 1-tert-butyl-2,4-dinitrobenzene;
Density: 1.246 g/cm3
Boiling Point: 326.4 °C at 760 mmHg
Flash Point: 146.4 °C
PSA: 91.64000
LogP: 3.84690
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Specification

The CAS registry number of 2,4-Dinitro-1-tert-butyl-benzene is 4160-54-7. This chemical's molecular formula is C10H12N2O4 and molecular weight is 224.21328. Its IUPAC name is called 1-tert-butyl-2,4-dinitrobenzene.

Physical properties of 2,4-Dinitro-1-tert-butyl-benzene: (1)ACD/LogP: 3.31; (2)#H bond acceptors: 6; (3)#Freely Rotating Bonds: 3; (4)Index of Refraction: 1.555; (5)Molar Refractivity: 57.73 cm3; (6)Molar Volume: 179.8 cm3; (7)Surface Tension: 45.2 dyne/cm; (8)Density: 1.246 g/cm3; (9)Flash Point: 146.4 °C; (10)Enthalpy of Vaporization: 54.6 kJ/mol; (11)Boiling Point: 326.4 °C at 760 mmHg; (12)Vapour Pressure: 0.000411 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
(2)InChI: InChI=1S/C10H12N2O4/c1-10(2,3)8-5-4-7(11(13)14)6-9(8)12(15)16/h4-6H,1-3H3
(3)InChIKey: KPARRRRVEGBOPI-UHFFFAOYSA-N