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| CAS No.: | 30129-18-1 |
|---|---|
| Name: | 4-(TRIFLUOROMETHYL)CYCLOHEXANOL |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C7H11F3O |
| Molecular Weight: | 168.159 |
| Synonyms: | 4-(Trifluoromethyl)cyclohexanol; |
| Density: | 1.232 g/cm3 |
| Boiling Point: | 160.366 °C at 760 mmHg |
| Flash Point: | 69.158 °C |
| Solubility: | Sparingly soluble in water.(0.26 g/L) (25°C), |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 10-36/37/38 |
| Safety: | 16-26-36 |
| Transport Information: | 16-26-36 |
| PSA: | 20.23000 |
| LogP: | 2.09980 |
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Specification
The cas register number of 4-(Trifluoromethyl)cyclohexanol is 30129-18-1. It also can be called as Cyclohexanol,4-(trifluoromethyl)- and the IUPAC Name about this chemical is 4-(trifluoromethyl)cyclohexan-1-ol. It belongs to the Ring Systems.
Physical properties about 4-(Trifluoromethyl)cyclohexanol are: (1)ACD/LogP: 1.30; (2)ACD/LogD (pH 5.5): 1.299; (3)ACD/LogD (pH 7.4): 1.299; (4)ACD/BCF (pH 5.5): 5.716; (5)ACD/BCF (pH 7.4): 5.716; (6)ACD/KOC (pH 5.5): 121.218; (7)ACD/KOC (pH 7.4): 121.218; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 20.23Å2; (12)Index of Refraction: 1.413; (13)Molar Refractivity: 34.049 cm3; (14)Molar Volume: 136.51 cm3; (15)Polarizability: 13.498x10-24cm3; (16)Surface Tension: 29.229 dyne/cm; (17)Enthalpy of Vaporization: 46.232 kJ/mol; (18)Vapour Pressure: 0.836 mmHg at 25°C.
Uses of 4-(Trifluoromethyl)cyclohexanol: it can be used to produce 3-trifluoromethyladipic acid at temperature of 70 ℃. This reaction will need reagent 60percent aq. HNO3 and solvent ammonium vanadate, copper powder with reaction time of 1hours. The yield is about 81%.
When you are using this chemical, please be cautious about it as the following:
This chemical is flammable and it is irritating to eyes, respiratory system and skin. When you are using it, wear protective clothing and keep away from sources of ignition. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC(CCC1C(F)(F)F)O
(2)InChI: InChI=1S/C7H11F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h5-6,11H,1-4H2
(3)InChIKey: VJUJYNJEPPWWHS-UHFFFAOYSA-N