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Home> Encyclopedia > Hot Product Listed N   > N,N'-dichloro-p-benzoquinonediimide
81-85-6 structure

N,N'-dichloro-p-benzoquinonediimide

CAS No.:81-85-6
Molecular Weight:340.176
Molecular Formula:C4H2N2NAS2+ (isomer)
Names and Identifiers
Synonyms

1,4-Bis(chloroimino)-2,5-cyclohexadiene 3,6-Bis(chloroimino)cyclohexa-1,4-diene N,N'-Dichloro-2,5-cyclohexadiene-1,4-diimine N,N'-Dichloro-p-benzoquinone diimine p-Benzoquinone bis(chlorimine) p-Quinonedichlorodiimine

Inchi
InChI=1S/C17H10BrNO2/c1-19-13-7-6-12(18)16-15(13)11(8-14(19)20)9-4-2-3-5-10(9)17(16)21/h2-8H,1H3
InChkey
QTNAUUGQZYCWGQ-UHFFFAOYSA-N
Canonical Smiles
CN1C2=C3C(=CC1=O)C4=CC=CC=C4C(=O)C3=C(C=C2)Br
Properties
Density
0.926
Melting Point
273.6 °C
Boiling Point
426.4°Cat760mmHg
Refractive Index
1.757
Flash Point
229.5°C
Computational chemical data
  • Molecular Weight:340.176g/mol
  • Molecular Formula:C4H2N2NAS2+
  • Compound Is Canonicalized:True
  • Exact Mass:338.989
  • Monoisotopic Mass:338.989
  • Complexity:529
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.4A^2
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccB6MAAAEAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAADBQAAAHgBAAAABrAyBmAQywIMAAACI AqVSUACCAAAlAgQIiAEIZOgIIDLAlZGEIQhghgDIy5cciMCOgAAgUAASgACAAESgACUAAAAAAAAA AA==
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