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Molecule
Dichlorophen
CAS: 97-23-4 · C13H10Cl2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 97-23-4
- Molecular Formula
- C13H10Cl2O2
- Molecular Mass
- 269.13 g/mol
Identifiers
CAS Registry Number
97-23-4
SMILES
Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O
InChI Key
MDNWOSOZYLHTCG-UHFFFAOYSA-N
InChI
InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2
Names and Synonyms
- Dichlorophen Common Name
- Phenol, 2,2′-methylenebis[4-chloro- Synonym
- 2,2′-Methylenebis[4-chlorophenol] Synonym
- G 4 Synonym
- Anthiphen Synonym
- Bis(5-chloro-2-hydroxyphenyl)methane Synonym
- Bis(2-hydroxy-5-chlorophenyl)methane Synonym
- DDDM Synonym
- DDM Synonym
- Dicestal Synonym
- 5,5′-Dichloro-2,2′-dihydroxydiphenylmethane Synonym
- Dichlorophen B Synonym
- Dichlorophen Synonym
- Dichlorophene Synonym
- Dichlorphen Synonym
- Didroxan Synonym
- Didroxane Synonym
- 2,2′-Dihydroxy-5,5′-dichlorodiphenylmethane Synonym
- Diphentane 70 Synonym
- Korium Synonym
- Panacide Synonym
- Prevental Synonym
- Preventol GDC Synonym
- Taeniatol Synonym
- Teniathane Synonym
- Teniatol Synonym
- Diphenthane 70 Synonym
- Preventol GD Synonym
- Dichlorophene 10 Synonym
- Di(5-Chloro-2-hydroxyphenyl)methane Synonym
- Hyosan Synonym
- Plath-Lyse Synonym
- Bis(chlorohydroxyphenyl)methane Synonym
- Gefir Synonym
- G 4 Pure Synonym
- G 4 Technical Synonym
- Fungicide GM Synonym
- Fungicide M Synonym
- Dichlorofen Synonym
- Antifen Synonym
- Difentan Synonym
- Teniotol Synonym
- Gingivit Synonym
- Cordocel Synonym
- Halenol Synonym
- Vermithana Synonym
- Embephen Synonym
- Palacel Synonym
- Preventol Synonym
- Sindar G 4 Synonym
- Sandocide Synonym
- Giv Gard G 4-40 Synonym
- NSC 38642 Synonym
- NSC 39467 Synonym
- Diclorofen Synonym
- M 213 (biocide) Synonym
- M 213 Synonym
- 4,4′-Dichloro-2,2′-methylenediphenol Synonym
- Xanbac Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 269.13 g/mol | CAS Common Chemistry |
| 269.127 g/mol | RDKit | |
| 269.121 g/mol | chempirical lib | |
| Canonical SMILES | ClC1=CC=C(O)C(=C1)CC2=CC(Cl)=CC=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MDNWOSOZYLHTCG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 177-178 °C | CAS Common Chemistry |
| Name | Dichlorophen | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 3.9954000000000023 | RDKit |
| 3.9954 | RDKit | |
| Molar Refractivity | 69.03960000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 268.00578492 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 = 269.13 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H10Cl2O2.
