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CAS No.: | 30485-71-3 |
---|---|
Name: | 1-CHLORO-4-HYDROXYCYCLOHEXANE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H11ClO |
Molecular Weight: | 134.606 |
Synonyms: | 4-Chlorocyclohexanol; |
Density: | 1.12g/cm3 |
Boiling Point: | 218.3 °C at 760 mmHg |
Flash Point: | 85.8 °C |
Risk Codes: | 10 |
Safety: | 16-26-36/37/39 |
Transport Information: | UN 1987 |
PSA: | 20.23000 |
LogP: | 1.52870 |
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The Cyclohexanol, 4-chloro-, with CAS registry number 30485-71-3, has the systematic name of 4-chlorocyclohexanol. Besides this, it is also called 1-Chloro-4-hydroxycyclohexane. And the chemical formula of this chemical is C6H11ClO.
Physical properties of Cyclohexanol, 4-chloro-: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/LogD (pH 7.4): 1.14; (5)ACD/BCF (pH 5.5): 4.31; (6)ACD/BCF (pH 7.4): 4.31; (7)ACD/KOC (pH 5.5): 99.08; (8)ACD/KOC (pH 7.4): 99.08; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.482; (14)Molar Refractivity: 34.1 cm3; (15)Molar Volume: 119.4 cm3; (16)Polarizability: 13.51×10-24cm3; (17)Surface Tension: 36 dyne/cm; (18)Density: 1.12 g/cm3; (19)Flash Point: 85.8 °C; (20)Enthalpy of Vaporization: 52.87 kJ/mol; (21)Boiling Point: 218.3 °C at 760 mmHg; (22)Vapour Pressure: 0.027 mmHg at 25°C.
Preparation: this chemical can be prepared by cyclohexane-1,4-diol. This reaction will need reagent aq. HCl.
Uses of Cyclohexanol, 4-chloro-: it can be used to produce 4-chloro-cyclohexanone. This reaction will need reagent CrO3.
When you are using this chemical, please be cautious about it as the following:
The Cyclohexanol, 4-chloro- is flammable, so keep it away from sources of ignition. When use it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC1CCC(O)CC1
(2)InChI: InChI=1/C6H11ClO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4H2
(3)InChIKey: HVPIAXWCSPHTAY-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H11ClO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4H2
(5)Std. InChIKey: HVPIAXWCSPHTAY-UHFFFAOYSA-N