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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
Names and Synonyms:
Chloroxylenol
Phenol, 4-chloro-3,5-dimethyl-
3,5-Xylenol, 4-chloro-
4-Chloro-3,5-dimethylphenol
Benzytol
2-Chloro-5-hydroxy-1,3-dimethylbenzene
2-Chloro-5-hydroxy-m-xylene
Ottasept
PCMX
Dettol
Espadol
4-Chloro-m-xylenol
Chloroxylenol
Husept Extra
Ottasept Extra
RBA 777
4-Chloro-3,5-Xylenol
p-Chloro-m-Xylenol
Desson
p-Chloro-3,5-xylenol
Camel
Camel (pesticide)
Hokubarine E 400
Finecide C 2000
Nipacide PX
Parametaxylenol
NSC 4971
4-Chloro-5,3-dimethylphenol
Dettol (biocide)
Ecotru
2,6-Dimethyl-4-hydroxy-1-chlorobenzene
3,5-Dimethyl-p-chlorophenol
Nipacide PX-R
Identifiers:
SMILES:
Cc1cc(O)cc(C)c1Cl
InChI:
InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3
Key Properties
Boiling Point
246 °C
CAS Common Chemistry
Melting Point
115 °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 | 156.61 g/mol | CAS Common Chemistry |
| 156.61199999999997 g/mol | RDKit | |
| 156.034192588 g/mol | RDKit | |
| 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 |
| Chloroxylenol | 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 |
| Molar Refractivity | 42.59080000000002 | RDKit |
