Cas no 7501-34-0 (1-bromo-7-methylnaphthalene;2,4,6-trinitrophenol)

1-bromo-7-methylnaphthalene;2,4,6-trinitrophenol structure
7501-34-0 structure
Product Name:1-bromo-7-methylnaphthalene;2,4,6-trinitrophenol
CAS No:7501-34-0
MF:C17H12BrN3O7
MW:450.197083473206
CID:980993
PubChem ID:347670
Update Time:2025-04-19

1-bromo-7-methylnaphthalene;2,4,6-trinitrophenol Chemical and Physical Properties

Names and Identifiers

    • 1-bromo-7-methylnaphthalene,2,4,6-trinitrophenol
    • 1-bromo-7-methylnaphthalene
    • 2,4,6-trinitrophenol
    • NSC406460
    • 7501-34-0
    • NSC-406460
    • 2,4,6-Trinitrophenol--1-bromo-7-methylnaphthalene (1/1)
    • DTXSID70324346
    • 1-bromo-7-methylnaphthalene;2,4,6-trinitrophenol
    • Inchi: 1S/C11H9Br.C6H3N3O7/c1-8-5-6-9-3-2-4-11(12)10(9)7-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-7H,1H3;1-2,10H
    • InChI Key: NYPLBCIOABHIMS-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC2C=CC(C)=CC=21.OC1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Computed Properties

  • Exact Mass: 448.98586
  • Monoisotopic Mass: 448.986
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 0
  • Complexity: 447
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 158?2

Experimental Properties

  • Boiling Point: 303.6°C at 760 mmHg
  • Flash Point: 133.9°C
  • PSA: 149.65
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