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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB100060 |
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Identification |
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| Name: |
4-chloro-3,5-dimethylphenol |
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| Description: | A member of the class of phenols that is 3,5-xylenol which is substituted at position 4 by chlorine. It is bactericidal against most Gram-positive bacteria but less effective against staphylococci and Gram-negative bacteria, and often inactive against |
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Structure |
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| Synonyms: | - 2-chloro-5-hydroxy-1,3-dimethylbenzene
- 2-chloro-5-hydroxy-m-xylene
- 2-Chloro-m-xylenol
- 3,5-dimethyl-4-chlorophenol
- 4-chloro-1-hydroxy-3,5-dimethylbenzene
- 4-chloro-m-xylenol
- chloro
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Chemical Formula: |
C8H9ClO |
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| Average Molecular Weight: |
156.609 |
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| Monoisotopic Molecular
Weight: |
156.034 |
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| InChI Key: |
OSDLLIBGSJNGJE-UHFFFAOYSA-N |
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| InChI: | InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 4-chloro-3,5-dimethylphenol |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | Cc1cc(O)cc(C)c1Cl |
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Chemical Taxonomy |
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Taxonomy Description | This compound 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 |
- M-xylene
- Xylene
- 4-chlorophenol
- M-cresol
- 4-halophenol
- 1-hydroxy-2-unsubstituted benzenoid
- Chlorobenzene
- Halobenzene
- Aryl chloride
- Aryl halide
- Monocyclic benzene moiety
- Organic oxygen compound
- Organohalogen compound
- Organochloride
- Organooxygen compound
- Hydrocarbon derivative
- Aromatic homomonocyclic compound
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| Molecular Framework |
Aromatic homomonocyclic compounds |
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| External Descriptors |
- phenols, monochlorobenzenes (CHEBI:34393)
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Physical Properties |
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| State: |
Not Available |
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| Charge: | 0 |
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Melting point: |
Not Available |
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| Experimental Properties: |
Not Available |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
Not Available |
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References |
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| References: |
Not Available |
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
| Resource | Link |
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| KEGG COMPOUND | C14715 |
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