| 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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