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Cas Database |
| Name |
2,4-Dinitro-1-tert-butyl-benzene |
EINECS | N/A |
| CAS No. | 4160-54-7 | Density | 1.246 g/cm3 |
| PSA | 91.64000 | LogP | 3.84690 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H12N2O4 | Boiling Point | 326.4 °C at 760 mmHg |
| Molecular Weight | 224.216 | Flash Point | 146.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-tert-butyl-2,4-dinitrobenzene; |
Article Data | 13 |
2,4-Dinitro-1-tert-butyl-benzene 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
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