Back to Search
1,3-Dichloro-2-Iodobenzene
CAS: 19230-28-5 | C6H3Cl2I
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19230-28-5
Molecular Formula:
C6H3Cl2I
Molecular Mass:
272.90 g/mol
Names and Synonyms:
1,3-Dichloro-2-Iodobenzene
Benzene, 1,3-dichloro-2-iodo-
1,3-Dichloro-2-iodobenzene
2,6-Dichlorophenyl iodide
2,6-Dichloroiodobenzene
2,6-Dichloro-1-iodobenzene
1-Iodo-2,6-dichlorobenzene
Identifiers:
SMILES:
Clc1cccc(Cl)c1I
InChI:
InChI=1S/C6H3Cl2I/c7-4-2-1-3-5(8)6(4)9/h1-3H
Key Properties
Melting Point
68 °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 | 272.90 g/mol | CAS Common Chemistry |
| 272.9 g/mol | RDKit | |
| 271.865653456 g/mol | RDKit | |
| Canonical SMILES | ClC1=CC=CC(Cl)=C1I | CAS Common Chemistry |
| InChI | InChI=1S/C6H3Cl2I/c7-4-2-1-3-5(8)6(4)9/h1-3H | CAS Common Chemistry |
| InChI Key | InChIKey=ZMPGXSFTXBOKFM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 68 °C | CAS Common Chemistry |
| Name | 1,3-Dichloro-2-iodobenzene | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.5980000000000008 | RDKit |
| Molar Refractivity | 49.179 | RDKit |
