Record Information |
---|
Version | 1.0 |
---|
Creation Date | 2016-11-21 12:19:40 UTC |
---|
Update Date | 2016-11-21 12:19:40 UTC |
---|
Accession Number | CHEM049410 |
---|
Identification |
---|
Common Name | 2,2',3,4,4',5-hexachloro-5'-(2,6-dichlorophenyl)-1,1'-biphenyl |
---|
Class | Small Molecule |
---|
Description | Not Available |
---|
Contaminant Sources | |
---|
Contaminant Type | Not Available |
---|
Chemical Structure | |
---|
Synonyms | Not Available |
---|
Chemical Formula | C18H6Cl8 |
---|
Average Molecular Mass | 505.850 g/mol |
---|
Monoisotopic Mass | 501.798 g/mol |
---|
CAS Registry Number | Not Available |
---|
IUPAC Name | 2,2',4,6'-tetrachloro-5-(2,3,4,5-tetrachlorophenyl)-1,1'-biphenyl |
---|
Traditional Name | 2,2',4,6'-tetrachloro-5-(2,3,4,5-tetrachlorophenyl)-1,1'-biphenyl |
---|
SMILES | ClC1=CC(=C(Cl)C(Cl)=C1Cl)C1=C(Cl)C=C(Cl)C(=C1)C1=C(Cl)C=CC=C1Cl |
---|
InChI Identifier | InChI=1S/C18H6Cl8/c19-10-2-1-3-11(20)15(10)9-4-7(12(21)6-13(9)22)8-5-14(23)17(25)18(26)16(8)24/h1-6H |
---|
InChI Key | CJQQNNOAANNUFP-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Description | belongs to the class of organic compounds known as m-terphenyls. These are terphenyls with a structure containing the 1,3-diphenylbenzene skeleton. |
---|
Kingdom | Organic compounds |
---|
Super Class | Benzenoids |
---|
Class | Benzene and substituted derivatives |
---|
Sub Class | Terphenyls |
---|
Direct Parent | M-terphenyls |
---|
Alternative Parents | |
---|
Substituents | - Meta-terphenyl
- Polychlorinated biphenyl
- Chlorinated biphenyl
- Biphenyl
- 1,3-dichlorobenzene
- Halobenzene
- Chlorobenzene
- Aryl halide
- Aryl chloride
- Hydrocarbon derivative
- Organochloride
- Organohalogen compound
- Aromatic homomonocyclic compound
|
---|
Molecular Framework | Aromatic homomonocyclic compounds |
---|
External Descriptors | Not Available |
---|
Biological Properties |
---|
Status | Detected and Not Quantified |
---|
Origin | Not Available |
---|
Cellular Locations | Not Available |
---|
Biofluid Locations | Not Available |
---|
Tissue Locations | Not Available |
---|
Pathways | Not Available |
---|
Applications | Not Available |
---|
Biological Roles | Not Available |
---|
Chemical Roles | Not Available |
---|
Physical Properties |
---|
State | Not Available |
---|
Appearance | Not Available |
---|
Experimental Properties | Property | Value |
---|
Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
|
---|
Predicted Properties | |
---|
Spectra |
---|
Spectra | Spectrum Type | Description | Splash Key | View |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-0000090000-87c5ba5b47c2b436b138 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-0000090000-2d3ba34b40e9dc326e7f | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0udi-1110390000-88ba20de9c6038398c13 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0000090000-e7c3b977af8e3938e27c | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0000090000-9261dbb846cb80a29c4f | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0udi-0000190000-9517e33519f87ae9de09 | Spectrum |
|
---|
Toxicity Profile |
---|
Route of Exposure | Not Available |
---|
Mechanism of Toxicity | Not Available |
---|
Metabolism | Not Available |
---|
Toxicity Values | Not Available |
---|
Lethal Dose | Not Available |
---|
Carcinogenicity (IARC Classification) | Not Available |
---|
Uses/Sources | Not Available |
---|
Minimum Risk Level | Not Available |
---|
Health Effects | Not Available |
---|
Symptoms | Not Available |
---|
Treatment | Not Available |
---|
Concentrations |
---|
| Not Available |
---|
External Links |
---|
DrugBank ID | Not Available |
---|
HMDB ID | Not Available |
---|
FooDB ID | Not Available |
---|
Phenol Explorer ID | Not Available |
---|
KNApSAcK ID | Not Available |
---|
BiGG ID | Not Available |
---|
BioCyc ID | Not Available |
---|
METLIN ID | Not Available |
---|
PDB ID | Not Available |
---|
Wikipedia Link | Not Available |
---|
Chemspider ID | Not Available |
---|
ChEBI ID | Not Available |
---|
PubChem Compound ID | Not Available |
---|
Kegg Compound ID | Not Available |
---|
YMDB ID | Not Available |
---|
ECMDB ID | Not Available |
---|
References |
---|
Synthesis Reference | Not Available |
---|
MSDS | Not Available |
---|
General References | Not Available |
---|