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| Synonyms | p,p'-DDE | 72-55-9 | 4,4'-DDE | dichlorodiphenyldichloroethylene | 2,2-Bis(4-chlorophenyl)-1,1-dichloroethylene | 1,1-Dichloro-2,2-bis(4-chlorophenyl)ethene | DDT dehydrochloride | DDE | p,p'-Dichlorodiphenyldichloroethylene | 1,1-Dichloro-2,2-bis(p-chlorophenyl)ethylene | D |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
1,1-Dichloro-2,2-bis(4-chlorophenyl)ethane(DDE) has been used to study the ability of Pseudomonas acidovorans M3GY to transform DDE and its unchlorinated analog, 1,1-diphenylethylene (DPE).It has been used to investigate the role of incubation time, solvent type, yeast inoculum growth stage and concentration on the results of yeast assay for estrogenic compounds |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | Chlorobenzenes Aryl chlorides Ketene acetals Vinyl chlorides Chloroalkenes Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diphenylmethane - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Ketene acetal or derivatives - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
| External Descriptors | a small molecule |
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| IUPAC Name | 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene |
|---|---|
| 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 |
| InChIKey | UCNVFOCBFJOQAL-UHFFFAOYSA-N |
| Smiles | C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl |
| Isomeric SMILES | C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl |
| UN Number | 3077 |
| Packing Group | III |
| Molecular Weight | 318.03 |
| Reaxy-Rn | 1913355 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1913355&ln= |
| Sensitivity | Light sensitive. |
|---|---|
| Boil Point(°C) | 316.5°C |
| Melt Point(°C) | 88-90°C |
| Molecular Weight | 318.000 g/mol |
| XLogP3 | 7.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 2 |
| Exact Mass | 317.935 Da |
| Monoisotopic Mass | 315.938 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 269.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |