Cas no 42389-30-0 (5-Chloro-3-nitrobenzene-1,2-diamine)

5-Chloro-3-nitrobenzene-1,2-diamine structure
42389-30-0 structure
Product Name:5-Chloro-3-nitrobenzene-1,2-diamine
CAS No:42389-30-0
MF:C6H6ClN3O2
MW:187.583739757538
CID:329388
PubChem ID:5361091
Update Time:2025-04-19

5-Chloro-3-nitrobenzene-1,2-diamine Chemical and Physical Properties

Names and Identifiers

    • 5-Chloro-3-nitrobenzene-1,2-diamine
    • 5-chloro-3-nitro-1,2-Benzenediamine
    • 5-chloro-3-nitro-o-phenylenediamine
    • NS00031168
    • 42389-30-0
    • DTXSID2068391
    • UNII-5F2BK3NSLK
    • Q27261946
    • 5-CHLORO-3-NITRO-1,2-BENZENEDIAMINE [HSDB]
    • EINECS 255-792-2
    • 3-NITRO-5-CHLORO-O-PHENYLENEDIAMINE
    • 5F2BK3NSLK
    • SCHEMBL8903476
    • EN300-131668
    • 1,2-Benzenediamine, 5-chloro-3-nitro-
    • HSDB 6231
    • 5-chloro-3-nitro-1,2-phenylenediamine
    • 3-NITRO-5-CHLORO-1,2-BENZENEDIAMINE
    • 5-Chloro-3-nitro-O-phenylene diamine
    • FT-0711406
    • PIPKLZRJGNJMBY-UHFFFAOYSA-N
    • Inchi: 1S/C6H6ClN3O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,8-9H2
    • InChI Key: PIPKLZRJGNJMBY-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C(=C(C=1)[N+](=O)[O-])N)N

Computed Properties

  • Exact Mass: 187.01498
  • Monoisotopic Mass: 187.014854
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 184
  • 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: 1.9
  • Topological Polar Surface Area: 97.9

Experimental Properties

  • Density: 1.592
  • Boiling Point: 394.1°Cat760mmHg
  • Flash Point: 192.1°C
  • Refractive Index: 1.712
  • PSA: 95.18

5-Chloro-3-nitrobenzene-1,2-diamine Pricemore >>

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