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2-Chlorocyclohexanol
CAS: 1561-86-0 | C6H11ClO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1561-86-0
Molecular Formula:
C6H11ClO
Molecular Mass:
134.61 g/mol
Names and Synonyms:
2-Chlorocyclohexanol
Cyclohexanol, 2-chloro-
2-Chlorocyclohexanol
Cyclohexene chlorohydrin
2-Chloro-1-cyclohexanol
1-Chloro-2-cyclohexanol
Identifiers:
SMILES:
OC1CCCCC1Cl
InChI:
InChI=1S/C6H11ClO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4H2
Key Properties
Boiling Point
92 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
29 °C
CAS Common Chemistry
Density
1.14 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 134.61 g/mol | CAS Common Chemistry |
| 134.606 g/mol | RDKit | |
| 134.049842652 g/mol | RDKit | |
| Density | 1.14 g/cm³ | CAS Common Chemistry |
| 1.142 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 92 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC1CCCCC1O | CAS Common Chemistry |
| InChI | InChI=1S/C6H11ClO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NYEWDMNOXFGGDX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 29 °C | CAS Common Chemistry |
| Name | 2-Chlorocyclohexanol | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 1.5287 | RDKit |
| Molar Refractivity | 34.1158 | RDKit |
