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Name |
Phenol,4-(1,1-dimethylpropyl)-2,6-dinitro- |
EINECS | N/A |
CAS No. | 4097-50-1 | Density | 1.305 g/cm3 |
PSA | 111.87000 | LogP | 3.94260 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H14N2O5 | Boiling Point | 291.1 °C at 760 mmHg |
Molecular Weight | 254.243 | Flash Point | 115.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Phenol,2,6-dinitro-4-tert-pentyl- (7CI,8CI);4-tert-Amyl-2,6-dinitrophenol;NSC 21492;NSC 78806; |
Article Data | 3 |
The Phenol,4-(1,1-dimethylpropyl)-2,6-dinitro- is an organic compound with the formula C11H14N2O5. The IUPAC name of this chemical is 4-(2-methylbutan-2-yl)-2,6-dinitrophenol. With the CAS registry number 4097-50-1, it is also named as 4-(1,1-dimethylpropyl)-2,6-dinitrophenol.
Physical properties about Phenol,4-(1,1-dimethylpropyl)-2,6-dinitro- are: (1)ACD/LogP: 4.09; (2)#H bond acceptors: 7; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 100.87 Å2; (6)Index of Refraction: 1.573; (7)Molar Refractivity: 64.24 cm3; (8)Molar Volume: 194.7 cm3; (9)Polarizability: 25.46×10-24cm3; (10)Surface Tension: 51.2 dyne/cm; (11)Density: 1.305 g/cm3; (12)Flash Point: 115.3 °C; (13)Enthalpy of Vaporization: 55.18 kJ/mol; (14)Boiling Point: 291.1 °C at 760 mmHg; (15)Vapour Pressure: 0.00114 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1O)C(C)(C)CC
(2)InChI: InChI=1/C11H14N2O5/c1-4-11(2,3)7-5-8(12(15)16)10(14)9(6-7)13(17)18/h5-6,14H,4H2,1-3H3
(3)InChIKey: BTFCDCNHRPIDHR-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C11H14N2O5/c1-4-11(2,3)7-5-8(12(15)16)10(14)9(6-7)13(17)18/h5-6,14H,4H2,1-3H3
(5)Std. InChIKey: BTFCDCNHRPIDHR-UHFFFAOYSA-N