Back to Search
Chlorocyclopentane
CAS: 930-28-9 | C5H9Cl
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
930-28-9
Molecular Formula:
C5H9Cl
Molecular Mass:
104.58 g/mol
Names and Synonyms:
Chlorocyclopentane
Cyclopentane, chloro-
Chlorocyclopentane
Cyclopentyl chloride
NSC 16930
Identifiers:
SMILES:
ClC1CCCC1
InChI:
InChI=1S/C5H9Cl/c6-5-3-1-2-4-5/h5H,1-4H2
Key Properties
Boiling Point
114 °C
CAS Common Chemistry
Melting Point
309-376 °C (decomp)
CAS Common Chemistry
Density
1.01 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 | 104.58 g/mol | CAS Common Chemistry |
| 104.58000000000001 g/mol | RDKit | |
| 104.039277968 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.0051 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 114 °C | CAS Common Chemistry |
| Canonical SMILES | ClC1CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H9Cl/c6-5-3-1-2-4-5/h5H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NDTCXABJQNJPCF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 309-376 °C (decomp) | CAS Common Chemistry |
| Name | Chlorocyclopentane | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.1677999999999997 | RDKit |
| Molar Refractivity | 28.108999999999988 | RDKit |
