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P-Chlorocresol
CAS: 59-50-7 | C7H7ClO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
59-50-7
Molecular Formula:
C7H7ClO
Molecular Weight:
142.58499999999998 g/mol
Names and Synonyms:
P-Chlorocresol
Phenol, 4-chloro-3-methyl-
m-Cresol, 4-chloro-
4-Chloro-3-methylphenol
2-Chloro-5-hydroxytoluene
6-Chloro-3-hydroxytoluene
3-Methyl-4-chlorophenol
Parol
PCMC
Raschit
Raschit K
Preventol CMK
4-Chloro-5-methylphenol
Baktol
Baktolan
Ottafact
Rasen-Anicon
Aptal
Candaseptic
Peritonan
para-Chloro-meta-cresol
Chlorocresol
4-Chloro-3-cresol
1-Chloro-2-methyl-4-hydroxybenzene
p-Chloro-m-cresol
Neopredisan
4-Chloro-m-cresol
NSC 4166
Parmetol
Aldecoc XD
3-Methyl-p-chlorophenol
Identifiers:
SMILES:
Cc1cc(O)ccc1Cl
InChI:
InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 142.59 g/mol | Legacy Database |
| density | 1.37 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/P-Chlorocresol None | Legacy Database |
| cas-boiling-point | 235 °C None | Legacy Database |
| cas-canonical-smile | ClC1=CC=C(O)C=C1C None | Legacy Database |
| cas-density | 1.37 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=CFKMVGJGLGKFKI-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 67 °C None | Legacy Database |
| cas-name | 4-Chloro-3-methylphenol None | Legacy Database |
| wikipedia-name | p-Chlorocresol None | Legacy Database |
| LogP | 2.3540200000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 142.58499999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 142.018542524 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 37.853800000000014 | RDKit |
