| Identification |
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| Common Name | 3,3'-Dimethyl-4,4'-diphenylene diisocyanate |
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| Class | Small Molecule |
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| Description | |
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| Contaminant Sources | - Clean Air Act Chemicals
- HPV EPA Chemicals
- STOFF IDENT Compounds
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C16H12N2O2 |
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| Average Molecular Mass | 264.284 g/mol |
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| Monoisotopic Mass | 264.090 g/mol |
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| CAS Registry Number | 91-97-4 |
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| IUPAC Name | 4,4'-diisocyanato-3,3'-dimethyl-1,1'-biphenyl |
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| Traditional Name | 4,4'-diisocyanato-3,3'-dimethyl-1,1'-biphenyl |
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| SMILES | CC1=CC(=CC=C1N=C=O)C1=CC=C(N=C=O)C(C)=C1 |
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| InChI Identifier | InChI=1S/C16H12N2O2/c1-11-7-13(3-5-15(11)17-9-19)14-4-6-16(18-10-20)12(2)8-14/h3-8H,1-2H3 |
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| InChI Key | ICLCCFKUSALICQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as 3,3'-disubstituted benzidines. These are organic compounds containing a benzidine skeleton, which is substituted only at the 3- and 3'-positions. |
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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 | Biphenyls and derivatives |
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| Direct Parent | 3,3'-disubstituted benzidines |
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| Alternative Parents | |
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| Substituents | - 3,3'-disubstituted benzidine
- Toluene
- Isocyanate
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | Not Available |
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