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Dichlorophen
CAS: 97-23-4 | C13H10Cl2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
97-23-4
Molecular Formula:
C13H10Cl2O2
Molecular Mass:
269.13 g/mol
Names and Synonyms:
Dichlorophen
Phenol, 2,2′-methylenebis[4-chloro-
2,2′-Methylenebis[4-chlorophenol]
G 4
Anthiphen
Bis(5-chloro-2-hydroxyphenyl)methane
Bis(2-hydroxy-5-chlorophenyl)methane
DDDM
DDM
Dicestal
5,5′-Dichloro-2,2′-dihydroxydiphenylmethane
Dichlorophen B
Dichlorophen
Dichlorophene
Dichlorphen
Didroxan
Didroxane
2,2′-Dihydroxy-5,5′-dichlorodiphenylmethane
Diphentane 70
Korium
Panacide
Prevental
Preventol GDC
Taeniatol
Teniathane
Teniatol
Diphenthane 70
Preventol GD
Dichlorophene 10
Di(5-Chloro-2-hydroxyphenyl)methane
Hyosan
Plath-Lyse
Bis(chlorohydroxyphenyl)methane
Gefir
G 4 Pure
G 4 Technical
Fungicide GM
Fungicide M
Dichlorofen
Antifen
Difentan
Teniotol
Gingivit
Cordocel
Halenol
Vermithana
Embephen
Palacel
Preventol
Sindar G 4
Sandocide
Giv Gard G 4-40
NSC 38642
NSC 39467
Diclorofen
M 213 (biocide)
M 213
4,4′-Dichloro-2,2′-methylenediphenol
Xanbac
Identifiers:
SMILES:
Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O
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
Key Properties
Melting Point
177-178 °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 | 269.13 g/mol | CAS Common Chemistry |
| 269.127 g/mol | RDKit | |
| 268.00578492 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 69.03960000000002 | RDKit |
