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Dichlorodiphenyldichloroethylene
CAS: 72-55-9 | C14H8Cl4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
72-55-9
Molecular Formula:
C14H8Cl4
Molecular Mass:
318.03 g/mol
Names and Synonyms:
Dichlorodiphenyldichloroethylene
Benzene, 1,1′-(2,2-dichloroethenylidene)bis[4-chloro-
Ethylene, 1,1-dichloro-2,2-bis(p-chlorophenyl)-
Benzene, 1,1′-(dichloroethenylidene)bis[4-chloro-
1,1′-(2,2-Dichloroethenylidene)bis[4-chlorobenzene]
1,1-Dichloro-2,2-bis(p-chlorophenyl)ethylene
DDE
p,p′-DDE
p,p′-Dichlorodiphenyldichloroethylene
1,1-Dichloro-2,2-di(p-chlorophenyl)ethylene
4,4′-DDE
2,2-Bis(4-chlorophenyl)-1,1-dichloroethylene
1,1-Bis(p-chlorophenyl)-2,2-dichloroethylene
2,2-Dichloro-1,1-bis(4-chlorophenyl)ethylene
4,4′-Dichlorodiphenyldichloroethylene
1,1-Bis(4-chlorophenyl)-2,2-dichloroethene
NSC 1153
2,2-Di(p-chlorophenyl)-1,1-dichloroethylene
1,1′-Dichloro-2,2-bis(4-chlorophenyl)ethane
2,2-Bis(4-chlorophenyl)-1,1-dichloroethene
1-Chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene
Identifiers:
SMILES:
ClC(Cl)=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChI:
InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H
Key Properties
Boiling Point
336 °C
CAS Common Chemistry
Melting Point
89 °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 | 318.03 g/mol | CAS Common Chemistry |
| 318.0300000000001 g/mol | RDKit | |
| 315.938010976 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dichlorodiphenyldichloroethylene | CAS Common Chemistry |
| Boiling Point | 336 °C | CAS Common Chemistry |
| Canonical SMILES | ClC(Cl)=C(C1=CC=C(Cl)C=C1)C2=CC=C(Cl)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H | CAS Common Chemistry |
| InChI Key | InChIKey=UCNVFOCBFJOQAL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 89 °C | CAS Common Chemistry |
| Name | p,p′-DDE | CAS Common Chemistry |
| Dichlorodiphenyldichloroethylene | CAS Common Chemistry | |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.187900000000003 | RDKit |
| Molar Refractivity | 80.63200000000002 | RDKit |
