| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:12:19 UTC |
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| Update date | 2019-11-26 03:12:56 UTC |
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| Primary ID | FDB016249 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | Chlorine |
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| Description | Chlorine, also known as CL2, belongs to the class of inorganic compounds known as homogeneous halogens. These are inorganic non-metallic compounds in which the largest atom is a nobel gas. Chlorine is possibly neutral. Chlorine is found, on average, in the highest concentration within a few different foods, such as milk (cow), dandelions, and giant butterburs and in a lower concentration in eggplants, dates, and butternuts. Chlorine has also been detected, but not quantified in, several different foods, such as okra, parsley, cabbages, black-eyed pea, and horseradish. This could make chlorine a potential biomarker for the consumption of these foods. Chlorine is a potentially toxic compound. |
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| CAS Number | 7782-50-5 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| Cl2 | ChEBI | | Molecular chlorine | ChEBI | | Chlorine | ChEBI | | CL2 Gas | MeSH | | Gas, chlorine | MeSH | | Chlorine 35 | MeSH | | Chlorine-35 | MeSH | | Gas, CL2 | MeSH | | Chlorine gas | MeSH | | Chlorine mol. | biospider | | Diatomic chlorine | biospider | | Dichlorine | db_source |
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| Predicted Properties | |
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| Chemical Formula | Cl2 |
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| IUPAC name | dichlorane |
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| InChI Identifier | InChI=1S/Cl2/c1-2 |
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| InChI Key | KZBUYRJDOAKODT-UHFFFAOYSA-N |
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| Isomeric SMILES | ClCl |
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| Average Molecular Weight | 70.906 |
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| Monoisotopic Molecular Weight | 69.937705414 |
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| Classification |
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| Description | belongs to the class of inorganic compounds known as homogeneous halogens. These are inorganic non-metallic compounds in which the largest atom is a nobel gas. |
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| Kingdom | Inorganic compounds |
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| Super Class | Homogeneous non-metal compounds |
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| Class | Homogeneous halogens |
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| Sub Class | Not Available |
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| Direct Parent | Homogeneous halogens |
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| Alternative Parents | |
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| Substituents | - Homogeneous halogen
- Inorganic chloride salt
- Inorganic salt
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| Molecular Framework | Not Available |
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| External Descriptors | |
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| Ontology |
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| Ontology | No ontology term |
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| Physico-Chemical Properties - Experimental |
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| Physico-Chemical Properties - Experimental | | Property | Value | Reference |
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| Physical state | gas | |
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| Physical Description | Not Available | |
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| Mass Composition | Cl 100.00% | DFC |
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| Melting Point | Mp -101° | DFC |
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| Boiling Point | Bp -34.9° | DFC |
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| Experimental Water Solubility | 6.3 mg/mL at 25 oC | AMOORE,JE & HAUTALA,E (1983) |
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| Experimental logP | Not Available | |
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| Experimental pKa | Not Available | |
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| Isoelectric point | Not Available | |
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| Charge | Not Available | |
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| Optical Rotation | Not Available | |
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| Spectroscopic UV Data | Not Available | |
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| Density | Not Available | |
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| Refractive Index | Not Available | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00di-9000000000-6e822575d1c944b1c9e8 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00di-9000000000-6e822575d1c944b1c9e8 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00di-9000000000-6e822575d1c944b1c9e8 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-9000000000-dbca39d50c160aa38721 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-014i-9000000000-dbca39d50c160aa38721 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-014i-9000000000-dbca39d50c160aa38721 | JSpectraViewer | | MS | Mass Spectrum (Electron Ionization) | splash10-00dr-9000000000-3cbc095f1caa401edb8c | JSpectraViewer | MoNA |
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| External Links |
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| ChemSpider ID | Not Available |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | Not Available |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | 29310 |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| CRC / DFC (Dictionary of Food Compounds) ID | KPM92-P:KPM92-P |
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| EAFUS ID | 619 |
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| Dr. Duke ID | CHLORINE |
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| BIGG ID | Not Available |
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| KNApSAcK ID | Not Available |
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| HET ID | Not Available |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | Not Available |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Chlorine |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | |
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| Enzymes | Not Available |
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| Pathways | Not Available |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | Not Available |
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| Files |
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| MSDS | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
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