Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-19 01:31:06 UTC |
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Update Date | 2016-10-28 18:42:06 UTC |
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Accession Number | CHEM003973 |
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Identification |
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Common Name | p-Chloro-m-cresol |
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Class | Small Molecule |
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Description | |
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Contaminant Sources | - Clean Air Act Chemicals
- My Exposome Chemicals
- OECD HPV Chemicals
- STOFF IDENT Compounds
- Sludge Chemicals
- ToxCast & Tox21 Chemicals
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Contaminant Type | Not Available |
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Chemical Structure | |
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Synonyms | Value | Source |
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Chlorocresol | Kegg | 4-Chloro-3-cresol | MeSH | 4-Chloro-meta-cresol | MeSH | Chlorocresol sodium salt | MeSH | 4-chloro-3-Methylphenol | KEGG |
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Chemical Formula | C7H7ClO |
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Average Molecular Mass | 142.583 g/mol |
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Monoisotopic Mass | 142.019 g/mol |
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CAS Registry Number | 59-50-7 |
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IUPAC Name | 4-chloro-3-methylphenol |
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Traditional Name | baktol |
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SMILES | CC1=CC(O)=CC=C1Cl |
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InChI Identifier | InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3 |
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InChI Key | CFKMVGJGLGKFKI-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as meta cresols. These are aromatic compounds containing a meta-cresol moiety, which consists of a benzene ring bearing a methyl group and a hydroxyl group at ring positions 1 and 3, respectively. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Phenols |
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Sub Class | Cresols |
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Direct Parent | Meta cresols |
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Alternative Parents | |
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Substituents | - 4-halophenol
- M-cresol
- 4-chlorophenol
- Chlorobenzene
- Halobenzene
- 1-hydroxy-2-unsubstituted benzenoid
- Toluene
- Aryl halide
- Aryl chloride
- Monocyclic benzene moiety
- Organohalogen compound
- Organic oxygen compound
- Organochloride
- Organooxygen compound
- Hydrocarbon derivative
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | |
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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Not Available |
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Cellular Locations | Not Available |
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Biofluid Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | Not Available |
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Applications | Not Available |
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Biological Roles | Not Available |
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Chemical Roles | Not Available |
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Physical Properties |
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State | Not Available |
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Appearance | Not Available |
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Experimental Properties | Property | Value |
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Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | |
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Toxicity Profile |
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Route of Exposure | Not Available |
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Mechanism of Toxicity | Not Available |
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Metabolism | Not Available |
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Toxicity Values | Not Available |
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Lethal Dose | Not Available |
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Carcinogenicity (IARC Classification) | Not Available |
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Uses/Sources | Not Available |
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Minimum Risk Level | Not Available |
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Health Effects | Not Available |
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Symptoms | Not Available |
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Treatment | Not Available |
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Concentrations |
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| Not Available |
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External Links |
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DrugBank ID | Not Available |
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HMDB ID | Not Available |
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FooDB ID | Not Available |
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Phenol Explorer ID | Not Available |
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KNApSAcK ID | Not Available |
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BiGG ID | Not Available |
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BioCyc ID | Not Available |
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METLIN ID | Not Available |
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PDB ID | Not Available |
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Wikipedia Link | Not Available |
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Chemspider ID | Not Available |
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ChEBI ID | Not Available |
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PubChem Compound ID | 1732 |
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Kegg Compound ID | C14331 |
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YMDB ID | Not Available |
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ECMDB ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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MSDS | Not Available |
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General References | Not Available |
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