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Home> Encyclopedia > Hot Product Listed N   > N,N'-dichloro-p-benzoquinonediimide
1188263-78-6 structure

N,N'-dichloro-p-benzoquinonediimide

Iupac Name:3-(4-chlorophenyl)pyrrolidine;oxalic acid
CAS No.:1188263-78-6
Molecular Weight:271.697
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/C10H12ClN.C2H2O4/c11-10-3-1-8(2-4-10)9-5-6-12-7-9;3-1(4)2(5)6/h1-4,9,12H,5-7H2;(H,3,4)(H,5,6)
InChkey
JDOFVNBUMRMYOK-UHFFFAOYSA-N
Canonical Smiles
C1CNCC1C2=CC=C(C=C2)Cl.C(=O)(C(=O)O)O
Properties
Density
0.926
Boiling Point
426.4°Cat760mmHg
Flash Point
229.5°C
Computational chemical data
  • Molecular Weight:271.697g/mol
  • Molecular Formula:C4H2N2NAS2+
  • Compound Is Canonicalized:True
  • Exact Mass:271.061
  • Monoisotopic Mass:271.061
  • Complexity:212
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:86.6A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccByOAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgIQCAAADQLBmCQwCILAAgCI AiDSCAICAAAgBQAIiIBIAogJICKBkxGEIAAgkACJiAcQgMAOhAAAAAAAAAAIAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:44 161 406 0505
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  • Tel:303 381 6600
  • Fax:303 381 6601
  • Tel:(852) 23902293
  • Fax:+852 2789 8314
 
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