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| CAS No.: | 6373-50-8 |
|---|---|
| Name: | 4-Cyclohexylaniline |
| Article Data: | 29 |
| Molecular Structure: | |
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| Formula: | C12H17N |
| Molecular Weight: | 175.274 |
| Synonyms: | Aniline,p-cyclohexyl- (6CI,8CI);(4-Cyclohexylphenyl)amine;(p-Cyclohexylphenyl)amine;4-Cyclohexylaniline;4-Cyclohexylbenzenamine;p-Cyclohexylaniline; |
| EINECS: | 228-918-9 |
| Density: | 1.013g/cm3 |
| Melting Point: | 53 °C |
| Boiling Point: | 301.2 °C at 760 mmHg |
| Flash Point: | 129.9 °C |
| Solubility: | Insoluble in water. |
| Hazard Symbols: | R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; |
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 26.02000 |
| LogP: | 3.89770 |
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Specification
The 4-Cyclohexylaniline, with CAS registry number 6373-50-8, belongs to the following product categories: (1)Amines; (2)Phenyls & Phenyl-Het. It has the systematic name of 4-cyclohexylaniline. And the chemical formula of this chemical is C12H17N. What's more, its EINECS is 228-918-9.
Physical properties of 4-Cyclohexylaniline: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.35; (4)ACD/LogD (pH 7.4): 3.45; (5)ACD/BCF (pH 5.5): 193.98; (6)ACD/BCF (pH 7.4): 248.28; (7)ACD/KOC (pH 5.5): 1406.96; (8)ACD/KOC (pH 7.4): 1800.8; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 56.35 cm3; (15)Molar Volume: 172.9 cm3; (16)Polarizability: 22.33×10-24cm3; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.013 g/cm3; (19)Flash Point: 129.9 °C; (20)Enthalpy of Vaporization: 54.14 kJ/mol; (21)Boiling Point: 301.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00107 mmHg at 25°C.
Uses of 4-Cyclohexylaniline: it can be used to produce 1-cyclohexyl-4-nitroso-benzene. This reaction will need reagent 30% aq. H2O2 and solvent methanol. The reaction time is 2 hour(s). The yield is about 73%.
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When you are using this chemical, please be cautious about it as the following:
The 4-Cyclohexylaniline irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1N)C2CCCCC2
(2)InChI: InChI=1/C12H17N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5,13H2
(3)InChIKey: JLNMBIKJQAKQBH-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C12H17N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5,13H2
(5)Std. InChIKey: JLNMBIKJQAKQBH-UHFFFAOYSA-N