Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-19 01:34:19 UTC |
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Update Date | 2016-11-09 01:09:16 UTC |
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Accession Number | CHEM004085 |
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Identification |
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Common Name | 1,2-Phenylenediamine |
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Class | Small Molecule |
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Description | A phenylenediamine in which the two amino groups are ortho to each other. |
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Contaminant Sources | - Clean Air Act Chemicals
- HPV EPA Chemicals
- OECD HPV Chemicals
- STOFF IDENT Compounds
- 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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1,2-Diaminobenzene | ChEBI | 2-Aminoaniline | ChEBI | 2-Phenylene diamine | ChEBI | O-Phenylenediamine | ChEBI | OPDA | ChEBI | Phenylene-1,2-dimaine | ChEBI | 1,2-Diaminobenzene dihydrochloride | MeSH | 2,3-Diaminobenzene | MeSH | Orthophenylenediamine | MeSH | 1,2-Phenylenediamine | MeSH | ortho-Phenylenediamine | MeSH |
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Chemical Formula | C6H8N2 |
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Average Molecular Mass | 108.144 g/mol |
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Monoisotopic Mass | 108.069 g/mol |
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CAS Registry Number | 95-54-5 |
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IUPAC Name | benzene-1,2-diamine |
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Traditional Name | o-phenylenediamine |
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SMILES | NC1=CC=CC=C1N |
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InChI Identifier | InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2 |
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InChI Key | GEYOCULIXLDCMW-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Benzene and substituted derivatives |
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Sub Class | Aniline and substituted anilines |
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Direct Parent | Aniline and substituted anilines |
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Alternative Parents | |
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Substituents | - Aniline or substituted anilines
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Primary amine
- Organonitrogen compound
- Amine
- 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 | O-Phenylenediamine |
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Chemspider ID | Not Available |
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ChEBI ID | 34043 |
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PubChem Compound ID | 7243 |
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Kegg Compound ID | C14402 |
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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 | |
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