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CAS No.: | 1561-86-0 |
---|---|
Name: | 2-CHLOROCYCLOHEXANOL |
Article Data: | 40 |
Molecular Structure: | |
Formula: | C6H11ClO |
Molecular Weight: | 134.606 |
Synonyms: | 2-Chloro-1-cyclohexanol;2-Chlorocyclohexanol;Cyclohexene chlorohydrin; |
EINECS: | 216-339-4 |
Density: | 1.12 g/cm3 |
Melting Point: | 29 °C |
Boiling Point: | 218.3 °C at 760 mmHg |
Flash Point: | 70 °C |
Appearance: | clear colourless to light yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 24/25 |
PSA: | 20.23000 |
LogP: | 1.52870 |
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The Cyclohexanol, 2-chloro-, with the CAS registry number 1561-86-0, is also known as Cyclohexanol, 2-chloro-, trans-. It belongs to the product categories of Alcohols; C2 to C6; Oxygen Compounds. Its EINECS registry number is 216-339-4. This chemical's molecular formula is C6H11ClO and molecular weight is 134.6. Its IUPAC name is called 2-chlorocyclohexan-1-ol. When you are using this chemical, please be cautious about it. You must avoid contacting it with skin and eyes. What's more, the product should be sealed and stored in cool, dry and well-ventilated place.
Physical properties of Cyclohexanol, 2-chloro-: (1)ACD/LogP: 1.20; (2)ACD/LogD (pH 5.5): 1.2; (3)ACD/LogD (pH 7.4): 1.2; (4)ACD/BCF (pH 5.5): 4.8; (5)ACD/BCF (pH 7.4): 4.8; (6)ACD/KOC (pH 5.5): 107.03; (7)ACD/KOC (pH 7.4): 107.03; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.482; (12)Molar Refractivity: 34.1 cm3; (13)Molar Volume: 119.4 cm3; (14)Surface Tension: 36 dyne/cm; (15)Density: 1.12 g/cm3; (16)Flash Point: 70 °C; (17)Enthalpy of Vaporization: 52.87 kJ/mol; (18)Boiling Point: 218.3 °C at 760 mmHg; (19)Vapour Pressure: 0.027 mmHg at 25°C.
Preparation of Cyclohexanol, 2-chloro-: this chemical can be prepared by cyclohexene. This reaction will need reagents chloramine T, H2SO4 and solvents acetone, H2O. The yield is about 75%.
Uses of Cyclohexanol, 2-chloro-: it can be used to produce 2-fluorocyclohexanol at temperature of 140 °C. This reaction will need reagent KF and solvent bis-(2-hydroxy-ethyl) ether with reaction time of 5 hours. The yield is about 60%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC(C(C1)O)Cl
(2)InChI: InChI=1S/C6H11ClO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4H2
(3)InChIKey: NYEWDMNOXFGGDX-UHFFFAOYSA-N