Cas no 31835-64-0 ([1,1'-Biphenyl]-3-amine,3'-nitro-)

[1,1'-Biphenyl]-3-amine,3'-nitro- structure
31835-64-0 structure
Product Name:[1,1'-Biphenyl]-3-amine,3'-nitro-
CAS No:31835-64-0
MF:C12H10N2O2
MW:214.220002651215
CID:306148
PubChem ID:35944
Update Time:2025-04-19

[1,1'-Biphenyl]-3-amine,3'-nitro- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-3-amine,3'-nitro-
    • 3-(3-nitrophenyl)aniline
    • DTXSID00185700
    • SCHEMBL2026676
    • CHEMBL353912
    • 3'-Nitrobiphenyl-3-amine
    • 3'-Nitro-3-biphenylamine
    • 31835-64-0
    • AKOS004116655
    • 3-Amino-3'-nitrobiphenyl
    • 3-amino -3'-nitrobiphenyl
    • BRN 2111610
    • 3-AMINO-3'-NITROBIPHENYL HYDROCHLORIDE
    • MFOBJFPOQKSSKE-UHFFFAOYSA-N
    • 3-BIPHENYLAMINE, 3'-NITRO-
    • Inchi: 1S/C12H10N2O2/c13-11-5-1-3-9(7-11)10-4-2-6-12(8-10)14(15)16/h1-8H,13H2
    • InChI Key: MFOBJFPOQKSSKE-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1=CC=CC(=C1)C1C=CC=C(C=1)N)=O

Computed Properties

  • Exact Mass: 214.0743
  • Monoisotopic Mass: 214.074228
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 252
  • 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: 3.2
  • Topological Polar Surface Area: 71.8

Experimental Properties

  • Density: 1.268
  • Boiling Point: 421.1°C at 760 mmHg
  • Flash Point: 208.5°C
  • Refractive Index: 1.65
  • PSA: 69.16
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