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| CAS No.: | 5458-48-0 |
|---|---|
| Name: | 4-CYCLOHEXYL-1-NITROBENZENE 98 |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C12H15NO2 |
| Molecular Weight: | 205.257 |
| Synonyms: | (4-Nitrophenyl)cyclohexane;1-Cyclohexyl-4-nitrobenzene;1-Nitro-4-cyclohexylbenzene;4-Cyclohexylnitrobenzene;NSC 23569;p-Cyclohexylnitrobenzene; |
| EINECS: | 226-720-7 |
| Density: | 1.124g/cm3 |
| Melting Point: | 60-62°C |
| Boiling Point: | 326.9 °C at 760 mmHg |
| Flash Point: | 146.8 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 45.82000 |
| LogP: | 4.16570 |
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- Total:25 Page 1 of 1 1
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Specification
The 4-Cyclohexyl-1-nitrobenzene, with CAS registry number 5458-48-0, belongs to the following product categories: (1)Amines; (2)Blocks. It has the systematic name of 1-cyclohexyl-4-nitrobenzene. This chemical should be kept cold. And the chemical formula of this chemical is C12H15NO2.
Physical properties of 4-Cyclohexyl-1-nitrobenzene: (1)ACD/LogP: 4.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.47; (4)ACD/LogD (pH 7.4): 4.47; (5)ACD/BCF (pH 5.5): 1464.42; (6)ACD/BCF (pH 7.4): 1464.42; (7)ACD/KOC (pH 5.5): 6420.68; (8)ACD/KOC (pH 7.4): 6420.68; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 58.66 cm3; (15)Molar Volume: 182.4 cm3; (16)Polarizability: 23.25×10-24cm3; (17)Surface Tension: 43.6 dyne/cm; (18)Density: 1.124 g/cm3; (19)Flash Point: 146.8 °C; (20)Enthalpy of Vaporization: 54.66 kJ/mol; (21)Boiling Point: 326.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000398 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(cc1)C2CCCCC2
(2)InChI: InChI=1/C12H15NO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2
(3)InChIKey: FUVKJYZTELKRRB-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C12H15NO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2
(5)Std. InChIKey: FUVKJYZTELKRRB-UHFFFAOYSA-N