Cas no 3009-34-5 (2,5-Cyclohexadien-1-one,4-imino-)
3009-34-5 structure
Product Name:2,5-Cyclohexadien-1-one,4-imino-
CAS No:3009-34-5
MF:C6H5NO
MW:107.110001325607
CID:314516
Update Time:2025-04-19
2,5-Cyclohexadien-1-one,4-imino- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadien-1-one,4-imino-
- 5-iminocyclohex-2-ene-1,4-dione
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- Inchi： 1S/C6H5NO/c7-5-1-3-6(8)4-2-5/h1-4,7H
- InChI Key： WELKBINNNXKQQS-UHFFFAOYSA-N
- SMILES： O=C1C=CC(C=C1)=N
Computed Properties
- Exact Mass: 107.03715
- Monoisotopic Mass: 107.037
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 171
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
Experimental Properties
- Density: 1.1697 (rough estimate)
- Boiling Point: 200.87°C (rough estimate)
- Flash Point: 89.9°C
- Refractive Index: 1.5423 (estimate)
- PSA: 40.92
2,5-Cyclohexadien-1-one,4-imino- Related Literature
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1. Benzoquinone imines. Part 14. The kinetics and mechanism of the coupling of p-benzoquinone monoimines with m-aminophenolsKeith C. Brown,John F. Corbett,Robert Labinson J. Chem. Soc. Perkin Trans. 2 1978 1292
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2. Acyl nitroxides. Part 3. Reactions with phenols, alcohols, ethers, and sulphidesS. Altaf Hussain,Terence C. Jenkins,M. John Perkins J. Chem. Soc. Perkin Trans. 1 1979 2809
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3. Benzoquinone imines. Part VIII. Mechanism and kinetics of the reaction of p-benzoquinone monoimines with monohydric phenolsJohn F. Corbett J. Chem. Soc. B 1970 1502
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John F. Corbett J. Chem. Soc. B 1969 213
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John F. Corbett J. Chem. Soc. B 1969 213
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