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Molecule
P-Chlorocresol
CAS: 59-50-7 · C7H7ClO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 59-50-7
- Molecular Formula
- C7H7ClO
- Molecular Mass
- 142.59 g/mol
Identifiers
CAS Registry Number
59-50-7
SMILES
Cc1cc(O)ccc1Cl
InChI Key
CFKMVGJGLGKFKI-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
Names and Synonyms
- P-Chlorocresol Synonym
- Phenol, 4-chloro-3-methyl- Synonym
- m-Cresol, 4-chloro- Synonym
- 4-Chloro-3-methylphenol Synonym
- 2-Chloro-5-hydroxytoluene Synonym
- 6-Chloro-3-hydroxytoluene Synonym
- 3-Methyl-4-chlorophenol Synonym
- Parol Synonym
- PCMC Synonym
- Raschit Synonym
- Raschit K Synonym
- Preventol CMK Synonym
- 4-Chloro-5-methylphenol Synonym
- Baktol Synonym
- Baktolan Synonym
- Ottafact Synonym
- Rasen-Anicon Synonym
- Aptal Synonym
- Candaseptic Synonym
- Peritonan Synonym
- para-Chloro-meta-cresol Synonym
- Chlorocresol Synonym
- 4-Chloro-3-cresol Synonym
- 1-Chloro-2-methyl-4-hydroxybenzene Synonym
- p-Chloro-m-cresol Synonym
- Neopredisan Synonym
- 4-Chloro-m-cresol Synonym
- NSC 4166 Synonym
- Parmetol Synonym
- Aldecoc XD Synonym
- 3-Methyl-p-chlorophenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 142.59 g/mol | CAS Common Chemistry |
| 142.58499999999998 g/mol | RDKit | |
| 142.585 g/mol | RDKit | |
| 142.582 g/mol | chempirical lib | |
| Density | 1.37 g/cm³ | CAS Common Chemistry |
| 1.37 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/P-Chlorocresol | CAS Common Chemistry |
| Boiling Point | 235 °C | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=C(O)C=C1C | CAS Common Chemistry |
| InChI | InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CFKMVGJGLGKFKI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 67 °C | CAS Common Chemistry |
| Name | 4-Chloro-3-methylphenol | CAS Common Chemistry |
| p-Chlorocresol | 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 | 2.3540200000000002 | RDKit |
| 2.354 | RDKit | |
| Molar Refractivity | 37.853800000000014 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 142.018542524 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
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MW = 142.59 g/mol; density = 1.370 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H7ClO.
