Record Information |
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Version | 1.0 |
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Created at | 2020-11-23 19:41:51 UTC |
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Updated at | 2021-08-19 23:59:28 UTC |
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NP-MRD ID | NP0002844 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 2,6-Dichlorophenol |
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Provided By | BMRB |
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Description | 2,6-Dichlorophenol, also known as 2,6-DCP, belongs to the class of organic compounds known as dichlorobenzenes. Dichlorobenzenes are compounds containing a benzene with exactly two chlorine atoms attached to it. It was first documented in 2000 (PMID: 11108396). Based on a literature review a significant number of articles have been published on 2,6-dichlorophenol (PMID: 17984079) (PMID: 34555584) (PMID: 34545863) (PMID: 34453444). |
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Structure | InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H |
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Synonyms | |
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Chemical Formula | C6H4Cl2O |
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Average Mass | 163.0000 Da |
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Monoisotopic Mass | 161.96392 Da |
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IUPAC Name | 2,6-dichlorophenol |
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Traditional Name | 2,6-dichlorophenol |
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CAS Registry Number | Not Available |
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SMILES | OC1=C(Cl)C=CC=C1Cl |
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InChI Identifier | InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H |
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InChI Key | HOLHYSJJBXSLMV-UHFFFAOYSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 500 MHz, benzene, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, benzene, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, benzene, experimental) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Not Available |
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Species Where Detected | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as dichlorobenzenes. Dichlorobenzenes are compounds containing a benzene with exactly two chlorine atoms attached to it. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Benzene and substituted derivatives |
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Sub Class | Halobenzenes |
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Direct Parent | Dichlorobenzenes |
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Alternative Parents | |
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Substituents | - 2-chlorophenol
- 2-halophenol
- 1,3-dichlorobenzene
- 1-hydroxy-4-unsubstituted benzenoid
- Phenol
- Aryl halide
- Aryl chloride
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organochloride
- Organohalogen compound
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | |
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Physical Properties |
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State | Not Available |
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Experimental Properties | |
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Predicted Properties | |
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External Links |
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HMDB ID | Not Available |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FoodDB ID | Not Available |
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KNApSAcK ID | C00053966 |
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Chemspider ID | 6633 |
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KEGG Compound ID | C07096 |
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BioCyc ID | CPD-10865 |
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BiGG ID | Not Available |
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Wikipedia Link | 2,6-Dichlorophenol |
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METLIN ID | Not Available |
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PubChem Compound | Not Available |
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PDB ID | Not Available |
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ChEBI ID | 28457 |
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Good Scents ID | rw1551701 |
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References |
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General References | - Ulrich EL, Akutsu H, Doreleijers JF, Harano Y, Ioannidis YE, Lin J, Livny M, Mading S, Maziuk D, Miller Z, Nakatani E, Schulte CF, Tolmie DE, Kent Wenger R, Yao H, Markley JL: BioMagResBank. Nucleic Acids Res. 2008 Jan;36(Database issue):D402-8. doi: 10.1093/nar/gkm957. Epub 2007 Nov 4. [PubMed:17984079 ]
- Yoder JA, Stevens BW: Attraction of immature stages of the American dog tick (Dermacentor variabilis) to 2,6-dichlorophenol. Exp Appl Acarol. 2000 Feb;24(2):159-64. doi: 10.1023/a:1006419203251. [PubMed:11108396 ]
- Li M, Wei D, Zhang Z, Fan D, Du B, Zeng H, Li D, Zhang J: Enhancing 2,6-dichlorophenol degradation and nitrate removal in the nano-zero-valent iron (nZVI) solid-phase denitrification system. Chemosphere. 2021 Sep 13;287(Pt 3):132249. doi: 10.1016/j.chemosphere.2021.132249. [PubMed:34555584 ]
- Lu W, Fu S, Sun X, Liu J, Zhu D, Li J, Chen L: Magnetic solid-phase extraction using polydopamine-coated magnetic multiwalled carbon nanotube composites coupled with high performance liquid chromatography for the determination of chlorophenols. Analyst. 2021 Oct 11;146(20):6252-6261. doi: 10.1039/d1an01113h. [PubMed:34545863 ]
- Panonnummal R, Gopinath D, Thankappan Presanna A, Viswanad V, Mangalathillam S: Non alcoholic palm nectar from Cocos nucifera as a promising nutraceutical preparation. J Food Biochem. 2021 Aug 28:e13900. doi: 10.1111/jfbc.13900. [PubMed:34453444 ]
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