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Molecule
Chloroxylenol
CAS: 88-04-0 · C8H9ClO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 88-04-0
- Molecular Formula
- C8H9ClO
- Molecular Mass
- 156.61 g/mol
Identifiers
CAS Registry Number
88-04-0
SMILES
Cc1cc(O)cc(C)c1Cl
InChI Key
OSDLLIBGSJNGJE-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3
Names and Synonyms
- Chloroxylenol Common Name
- Phenol, 4-chloro-3,5-dimethyl- Synonym
- 3,5-Xylenol, 4-chloro- Synonym
- 4-Chloro-3,5-dimethylphenol Synonym
- Benzytol Synonym
- 2-Chloro-5-hydroxy-1,3-dimethylbenzene Synonym
- 2-Chloro-5-hydroxy-m-xylene Synonym
- Ottasept Synonym
- PCMX Synonym
- Dettol Synonym
- Espadol Synonym
- 4-Chloro-m-xylenol Synonym
- Chloroxylenol Synonym
- Husept Extra Synonym
- Ottasept Extra Synonym
- RBA 777 Synonym
- 4-Chloro-3,5-Xylenol Synonym
- p-Chloro-m-Xylenol Synonym
- Desson Synonym
- p-Chloro-3,5-xylenol Synonym
- Camel Synonym
- Camel (pesticide) Synonym
- Hokubarine E 400 Synonym
- Finecide C 2000 Synonym
- Nipacide PX Synonym
- Parametaxylenol Synonym
- NSC 4971 Synonym
- 4-Chloro-5,3-dimethylphenol Synonym
- Dettol (biocide) Synonym
- Ecotru Synonym
- 2,6-Dimethyl-4-hydroxy-1-chlorobenzene Synonym
- 3,5-Dimethyl-p-chlorophenol Synonym
- Nipacide PX-R Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 156.61 g/mol | CAS Common Chemistry |
| 156.61199999999997 g/mol | RDKit | |
| 156.612 g/mol | RDKit | |
| 156.609 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chloroxylenol | CAS Common Chemistry |
| Boiling Point | 246 °C | CAS Common Chemistry |
| Canonical SMILES | ClC=1C(=CC(O)=CC1C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OSDLLIBGSJNGJE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 115 °C | CAS Common Chemistry |
| Name | 4-Chloro-3,5-dimethylphenol | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | 2.662440000000001 | RDKit |
| 2.6624 | RDKit | |
| Molar Refractivity | 42.59080000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 156.034192588 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.
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MW = 156.61 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H9ClO.
