| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation Date | 2016-10-28 19:04:16 UTC |
|---|
| Update Date | 2016-10-28 19:04:16 UTC |
|---|
| Accession Number | CHEM046181 |
|---|
| Identification |
|---|
| Common Name | 1,1,2,3,3-pentachloroprop-1-ene |
|---|
| Class | Small Molecule |
|---|
| Description | |
|---|
| Contaminant Sources | |
|---|
| Contaminant Type | Not Available |
|---|
| Chemical Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| Pentachloropropene | MeSH | | 1,1,2,3,3-Pentachloropropene, 2-chloro-1,1,3,3-tetra(chloro-(36)CL)-labeled CPD | MeSH | | 1,1,2,3,3-Pentachloropropene, 1,1,2,3-tetrachloro-3-(chloro-(36)CL)-labeled CPD | MeSH | | 1,1,2,3,3-Pentachloropropene, 1,3-di(chloro-(36)CL)-1,2,3-trichloro-labeled CPD | MeSH | | 1,1,2,3,3-Pentachloropropene, propene-1-(14)C-labeled CPD | MeSH | | 1,1,2,3,3-Pentachloropropene | MeSH |
|
|---|
| Chemical Formula | C3HCl5 |
|---|
| Average Molecular Mass | 214.290 g/mol |
|---|
| Monoisotopic Mass | 211.852 g/mol |
|---|
| CAS Registry Number | Not Available |
|---|
| IUPAC Name | 1,1,2,3,3-pentachloroprop-1-ene |
|---|
| Traditional Name | 1,1,2,3,3-pentachloroprop-1-ene |
|---|
| SMILES | ClC(Cl)C(Cl)=C(Cl)Cl |
|---|
| InChI Identifier | InChI=1S/C3HCl5/c4-1(2(5)6)3(7)8/h2H |
|---|
| InChI Key | MAXQCYDCBHPIAB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Description | belongs to the class of organic compounds known as vinyl chlorides. These are vinyl halides in which a chlorine atom is bonded to an sp2-hybridised carbon atom. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organohalogen compounds |
|---|
| Class | Vinyl halides |
|---|
| Sub Class | Vinyl chlorides |
|---|
| Direct Parent | Vinyl chlorides |
|---|
| Alternative Parents | |
|---|
| Substituents | - Chloroalkene
- Haloalkene
- Vinyl chloride
- Hydrocarbon derivative
- Organochloride
- Alkyl halide
- Alkyl chloride
- Aliphatic acyclic compound
|
|---|
| Molecular Framework | Aliphatic acyclic 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 | splash10-03di-0090000000-2a69b07bd51aff0918c9 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-0090000000-dc30b5f8ef1a03d158ee | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-004i-3900000000-bc6f7787730555900277 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-0090000000-6f9d70b199930337ae0e | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03di-0090000000-cbcb9a18c50735c20402 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-03di-1090000000-e7ed53fcd76070506b88 | 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 | 15338 |
|---|
| 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 |
|---|
