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Molecule
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
Identifiers
CAS Registry Number
60274-60-4
SMILES
ClCCCCCI
InChI Key
GUUHKOCYWBEGGX-UHFFFAOYSA-N
InChI
InChI=1S/C5H10ClI/c6-4-2-1-3-5-7/h1-5H2
Names and Synonyms
- 1-Chloro-5-Iodopentane Synonym
- Pentane, 1-chloro-5-iodo- Synonym
- 1-Chloro-5-iodopentane Synonym
- 5-Chloro-1-iodopentane Synonym
- 1-Iodo-5-chloropentane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 232.49 g/mol | CAS Common Chemistry |
| 232.49200000000002 g/mol | RDKit | |
| 232.492 g/mol | RDKit | |
| 232.489 g/mol | chempirical lib | |
| Density | 1.67 g/cm³ | CAS Common Chemistry |
| 1.6731 g/cm3 @ 20 °C | 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 |
| 2.8305 | RDKit | |
| Molar Refractivity | 43.45800000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 231.951576 g/mol | RDKit |
| Boiling Point | 75.8 °C @ 4 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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.
External Resources
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MW = 232.49 g/mol; density = 1.670 g/mL. Edit any field — others recompute live.
