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1-Chloro-5-Iodopentane
CAS: 60274-60-4 | C5H10ClI
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
60274-60-4
Molecular Formula:
C5H10ClI
Molecular Mass:
232.49 g/mol
Names and Synonyms:
1-Chloro-5-Iodopentane
Pentane, 1-chloro-5-iodo-
1-Chloro-5-iodopentane
5-Chloro-1-iodopentane
1-Iodo-5-chloropentane
Identifiers:
SMILES:
ClCCCCCI
InChI:
InChI=1S/C5H10ClI/c6-4-2-1-3-5-7/h1-5H2
Key Properties
Boiling Point
75.8 °C @ Press: 4 Torr
CAS Common Chemistry
Density
1.67 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 | 232.49 g/mol | CAS Common Chemistry |
| 232.49200000000002 g/mol | RDKit | |
| 231.951576 g/mol | RDKit | |
| Density | 1.67 g/cm³ | CAS Common Chemistry |
| 1.6731 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 75.8 °C @ Press: 4 Torr | CAS Common Chemistry |
| Canonical SMILES | ClCCCCCI | CAS Common Chemistry |
| InChI | InChI=1S/C5H10ClI/c6-4-2-1-3-5-7/h1-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GUUHKOCYWBEGGX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Chloro-5-iodopentane | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.8305000000000016 | RDKit |
| Molar Refractivity | 43.45800000000003 | RDKit |
