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Cas Database |
| Name |
4-Nitro-4'-tert-butyldiphenyl ether |
EINECS | N/A |
| CAS No. | 34859-82-0 | Density | 1.137 g/cm3 |
| PSA | 55.05000 | LogP | 5.20780 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C16H17NO3 | Boiling Point | 364.5 °C at 760 mmHg |
| Molecular Weight | 271.316 | Flash Point | 138.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-(4-tert-Butylphenoxy)nitrobenzene;4-Nitro-4'-tert-butyldiphenyl ether;4-tert-Butylphenyl 4-nitrophenyl ether;p-tert-Butylphenyl p-nitrophenyl ether; |
Article Data | 17 |
4-Nitro-4'-tert-butyldiphenyl ether Specification
The CAS register number of 4-Nitro-4'-tert-butyldiphenyl ether is 34859-82-0. It also can be called as Benzene,1-(1,1-dimethylethyl)-4-(4-nitrophenoxy)- and the systematic name about this chemical is 1-tert-butyl-4-(4-nitrophenoxy)benzene.
Physical properties about 4-Nitro-4'-tert-butyldiphenyl ether are: (1)ACD/LogP: 5.62; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 55.05Å2; (6)Index of Refraction: 1.564; (7)Molar Refractivity: 77.62 cm3; (8)Molar Volume: 238.5 cm3; (9)Polarizability: 30.77x10-24cm3; (10)Surface Tension: 40.5 dyne/cm; (11)Enthalpy of Vaporization: 58.67 kJ/mol; (12)Boiling Point: 364.5 °C at 760 mmHg; (13)Vapour Pressure: 3.51E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc(Oc1ccc(cc1)C(C)(C)C)cc2
(2)InChI: InChI=1/C16H17NO3/c1-16(2,3)12-4-8-14(9-5-12)20-15-10-6-13(7-11-15)17(18)19/h4-11H,1-3H3
(3)InChIKey: ZWOYWHYRFBLDEV-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C16H17NO3/c1-16(2,3)12-4-8-14(9-5-12)20-15-10-6-13(7-11-15)17(18)19/h4-11H,1-3H3
(5)Std. InChIKey: ZWOYWHYRFBLDEV-UHFFFAOYSA-N
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