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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