Cas no 22816-00-8 (Benzoic acid, 4-nitro-,2-acetylhydrazide)

Benzoic acid, 4-nitro-,2-acetylhydrazide structure
22816-00-8 structure
Product Name:Benzoic acid, 4-nitro-,2-acetylhydrazide
CAS No:22816-00-8
MF:C9H9N3O4
MW:223.185461759567
CID:260535
PubChem ID:3332418
Update Time:2025-04-19

Benzoic acid, 4-nitro-,2-acetylhydrazide Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-nitro-,2-acetylhydrazide
    • N'-acetyl-4-nitrobenzohydrazide
    • p-Nitrobenzoic acid, acetylhydrazide
    • DTXSID30177370
    • Hydrazine, N'-acetyl-N''-4-nitrobenzoyl-
    • AKOS022217985
    • SR-01000195336
    • 1-Acetyl-2-(p-nitrobenzoyl)hydrazine
    • p-Nitrobenzoic acid, 2-acetylhydrazide
    • SCHEMBL222685
    • SR-01000195336-1
    • BENZOIC ACID, p-NITRO-, ACETYLHYDRAZIDE
    • 22816-00-8
    • 1-Acetyl-2-(4-nitrobenzoyl)hydrazine
    • BRN 1986771
    • CBDivE_007840
    • 4-nitro-benzoic acid N'-acetyl-hydrazide
    • 4-09-00-01221 (Beilstein Handbook Reference)
    • N'-Acetyl-4-nitrobenzohydrazide #
    • Inchi: 1S/C9H9N3O4/c1-6(13)10-11-9(14)7-2-4-8(5-3-7)12(15)16/h2-5H,1H3,(H,10,13)(H,11,14)
    • InChI Key: UGBLEARQDSFEGM-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(=CC=1)[N+](=O)[O-])NNC(C)=O

Computed Properties

  • Exact Mass: 223.05937
  • Monoisotopic Mass: 223.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 292
  • 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: 0.5
  • Topological Polar Surface Area: 104?2

Experimental Properties

  • Density: 1.36
  • Boiling Point: 533.8°Cat760mmHg
  • Flash Point: 276.6°C
  • Refractive Index: 1.581
  • PSA: 101.34
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