Back to Search
Molecule
Chlorohydroquinone
CAS: 615-67-8 · C6H5ClO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 615-67-8
- Molecular Formula
- C6H5ClO2
- Molecular Mass
- 144.56 g/mol
Identifiers
CAS Registry Number
615-67-8
SMILES
Oc1ccc(O)c(Cl)c1
InChI Key
AJPXTSMULZANCB-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H
Names and Synonyms
- Chlorohydroquinone Common Name
- 1,4-Benzenediol, 2-chloro- Synonym
- Hydroquinone, chloro- Synonym
- 2-Chloro-1,4-benzenediol Synonym
- Chlorohydroquinone Synonym
- 1,4-Dihydroxy-2-chlorobenzene Synonym
- Chloroquinol Synonym
- Monochlorohydroquinone Synonym
- 2-Chlorohydroquinone Synonym
- 2-Chloro-1,4-dihydroxybenzene Synonym
- 1-Chloro-2,5-dihydroxybenzene Synonym
- Chloro-p-hydroquinone Synonym
- 2-Chloro-1,4-hydroquinone Synonym
- NSC 427 Synonym
- NSC 5934 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.56 g/mol | CAS Common Chemistry |
| 144.55700000000002 g/mol | RDKit | |
| 144.557 g/mol | RDKit | |
| 144.554 g/mol | chempirical lib | |
| Boiling Point | 263 °C | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC(O)=CC=C1O | CAS Common Chemistry |
| InChI | InChI=1S/C6H5ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H | CAS Common Chemistry |
| InChI Key | InChIKey=AJPXTSMULZANCB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 100 °C | CAS Common Chemistry |
| Name | Chlorohydroquinone | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 1.7511999999999999 | RDKit |
| 1.7512 | RDKit | |
| Molar Refractivity | 34.781600000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 143.99780708 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 144.56 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H5ClO2.
