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2,3-Dichlorobenzyl Chloride
CAS: 3290-01-5 | C7H5Cl3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3290-01-5
Molecular Formula:
C7H5Cl3
Molecular Mass:
195.48 g/mol
Names and Synonyms:
2,3-Dichlorobenzyl Chloride
Benzene, 1,2-dichloro-3-(chloromethyl)-
Toluene, α,2,3-trichloro-
1,2-Dichloro-3-(chloromethyl)benzene
2,3-Dichlorobenzyl chloride
2,3-Dichloro-1-(chloromethyl)benzene
Identifiers:
SMILES:
ClCc1cccc(Cl)c1Cl
InChI:
InChI=1S/C7H5Cl3/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2
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 | 195.48 g/mol | CAS Common Chemistry |
| 195.47599999999997 g/mol | RDKit | |
| 193.9456832 g/mol | RDKit | |
| Canonical SMILES | ClC1=CC=CC(=C1Cl)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C7H5Cl3/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=AIPJZPPOFWCJRC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,3-Dichlorobenzyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.7322000000000006 | RDKit |
| Molar Refractivity | 46.01900000000001 | RDKit |
