Cas no 28340-62-7 (4-dimethylamino-2-nitrobenzonitrile)

4-dimethylamino-2-nitrobenzonitrile structure
28340-62-7 structure
Product Name:4-dimethylamino-2-nitrobenzonitrile
CAS No:28340-62-7
MF:C9H9N3O2
MW:191.186661481857
CID:2152867
PubChem ID:12715769
Update Time:2025-04-21

4-dimethylamino-2-nitrobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-dimethylamino-2-nitrobenzonitrile
    • 2-nitro-4-dimethylaminobenzonitrile
    • 4-Dimethylamino-2-nitrobenzonitril
    • 4-dimethylamino-2-nitro-benzonitrile
    • DB-332286
    • AKOS018599157
    • SCHEMBL2258774
    • 28340-62-7
    • Inchi: 1S/C9H9N3O2/c1-11(2)8-4-3-7(6-10)9(5-8)12(13)14/h3-5H,1-2H3
    • InChI Key: WLBZNBJVMSNGQC-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1=C(C#N)C=CC(=C1)N(C)C)=O

Computed Properties

  • Exact Mass: 191.06900
  • Monoisotopic Mass: 191.069476538Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 263
  • 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: 1.6
  • Topological Polar Surface Area: 72.9?2

Experimental Properties

  • PSA: 72.85000
  • LogP: 2.05568

4-dimethylamino-2-nitrobenzonitrile Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Dimethylformamide
Reference
Fluorinated tricyclic neuroleptics with prolonged action: derivatives and analogs of 2-[4-(7-fluoro-2-isopropyl-10,11-dihydrodibenzo[b,f]thiepin-11-yl]piperazine-1-yl)ethanol
Protiva, Miroslav; et al, Collection of Czechoslovak Chemical Communications, 1987, 52(7), 1811-33

4-dimethylamino-2-nitrobenzonitrile Raw materials

4-dimethylamino-2-nitrobenzonitrile Preparation Products

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