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2,4-Dichlorophenol
CAS: 120-83-2 | C6H4Cl2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
120-83-2
Molecular Formula:
C6H4Cl2O
Molecular Mass:
163.00 g/mol
Names and Synonyms:
2,4-Dichlorophenol
Phenol, 2,4-dichloro-
2,4-Dichlorophenol
DCP
4,6-Dichlorophenol
1,3-Dichloro-4-hydroxybenzene
2,4-Dichlorophenic acid
2,4-DCP
NSC 2879
Identifiers:
SMILES:
Oc1ccc(Cl)cc1Cl
InChI:
InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
Key Properties
Boiling Point
210 °C
CAS Common Chemistry
Melting Point
45 °C
CAS Common Chemistry
Density
1.38 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 | 163.00 g/mol | CAS Common Chemistry |
| 163.003 g/mol | RDKit | |
| 161.963920108 g/mol | RDKit | |
| Density | 1.38 g/cm³ | CAS Common Chemistry |
| 1.383 g/cm3 @ Temp: 60 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2,4-Dichlorophenol | CAS Common Chemistry |
| Boiling Point | 210 °C | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=C(O)C(Cl)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H | CAS Common Chemistry |
| InChI Key | InChIKey=HFZWRUODUSTPEG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 45 °C | CAS Common Chemistry |
| Name | 2,4-Dichlorophenol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.699 | RDKit |
| Molar Refractivity | 38.12680000000001 | RDKit |
