Back to Search
Chloroiodomethane
CAS: 593-71-5 | CH2ClI
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
593-71-5
Molecular Formula:
CH2ClI
Molecular Mass:
176.38 g/mol
Names and Synonyms:
Chloroiodomethane
Methane, chloroiodo-
Chloroiodomethane
Chloromethyl iodide
Iodochloromethane
Identifiers:
SMILES:
ClCI
InChI:
InChI=1S/CH2ClI/c2-1-3/h1H2
Key Properties
Boiling Point
109 °C
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 | 176.38 g/mol | CAS Common Chemistry |
| 176.384 g/mol | RDKit | |
| 175.888975744 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chloroiodomethane | CAS Common Chemistry |
| Boiling Point | 109 °C | CAS Common Chemistry |
| Canonical SMILES | ClCI | CAS Common Chemistry |
| InChI | InChI=1S/CH2ClI/c2-1-3/h1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PJGJQVRXEUVAFT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Chloroiodomethane | CAS Common Chemistry |
| Heavy Atom Count | 3 | 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 | 1.6177000000000001 | RDKit |
| Molar Refractivity | 24.739999999999995 | RDKit |
