Cas no 2444-29-3 (Benzene,1-methyl-2-(4-nitrophenoxy)-)

Benzene,1-methyl-2-(4-nitrophenoxy)- structure
2444-29-3 structure
Product Name:Benzene,1-methyl-2-(4-nitrophenoxy)-
CAS No:2444-29-3
MF:C13H11NO3
MW:229.231343507767
CID:272768
PubChem ID:17123
Update Time:2025-04-19

Benzene,1-methyl-2-(4-nitrophenoxy)- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-methyl-2-(4-nitrophenoxy)-
    • 1-methyl-2-(4-nitrophenoxy)benzene
    • 2-Methylphenyl 4-nitrophenyl ether
    • Ether, p-nitrophenyl o-tolyl
    • DTXSID90179193
    • Q27288743
    • P-NITROPHENYL O-TOLYL ETHER
    • 2444-29-3
    • 2-METHYLPHENYL 4-NITROPHENYL ETHER [HSDB]
    • Benzene, 1-methyl-2-(4-nitrophenoxy)-
    • S6YC64171R
    • UNII-S6YC64171R
    • SCHEMBL4378038
    • HSDB 2838
    • Inchi: 1S/C13H11NO3/c1-10-4-2-3-5-13(10)17-12-8-6-11(7-9-12)14(15)16/h2-9H,1H3
    • InChI Key: CUOZZRROMKDJFD-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=CC=1)[N+](=O)[O-])C1C=CC=CC=1C

Computed Properties

  • Exact Mass: 229.07393
  • Monoisotopic Mass: 229.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 256
  • 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: 4.1
  • Topological Polar Surface Area: 55A^2

Experimental Properties

  • Density: 1.218
  • Boiling Point: 328.3°C at 760 mmHg
  • Flash Point: 137.9°C
  • Refractive Index: 1.596
  • PSA: 52.37

Benzene,1-methyl-2-(4-nitrophenoxy)- Related Literature

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