PCB-126 (Compound)
Go to Compound classification| ID | 942 |
|---|---|
| Name | PCB-126 |
| Synonyms | 3,3',4,4',5-Pentachlorobiphenyl |
| Structure |  |
| Description | |
| Classification | Compounds > Chemical entities > Organic compounds > Benzenoids > Benzene and substituted derivatives > Biphenyls and derivatives > Chlorinated biphenyls > Polychlorinated biphenyls |
| CAS number | 57465-28-8 |
| PubChem ID | 63090 |
| ChEBI ID | 34317 |
| FooDB ID | |
| HMDB ID |
Chemical data
MolDBi data
| IUPAC Name | 1,2,3-trichloro-5-(3,4-dichlorophenyl)benzene |
|---|---|
| Traditional IUPAC Name | 1,2,3-trichloro-5-(3,4-dichlorophenyl)benzene |
| Formula | C12H5Cl5 |
| InChI | InChI=1S/C12H5Cl5/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5H |
| InChI Key | REHONNLQRWTIFF-UHFFFAOYSA-N |
| Molecular weight | 326.433 |
| Exact mass | 323.883388695 |
| SMILES | ClC1=CC(=CC(Cl)=C1Cl)C1=CC(Cl)=C(Cl)C=C1 |
ClassyFire Taxonomy
| Description | belongs to the class of organic compounds known as polychlorinated biphenyls. These are organic compounds containing at least two chlorine atoms attached to either benzene ring of the biphenyl moiety. |
|---|---|
| Kingdom | Organic compounds |
| Super Class | Benzenoids |
| Class | Benzene and substituted derivatives |
| Sub Class | Biphenyls and derivatives |
| Direct Parent | Polychlorinated biphenyls |
| Alternative Parents |