Cas no 91137-27-8 (1-Methyl-5-nitro-naphthalene)

1-Methyl-5-nitro-naphthalene structure
1-Methyl-5-nitro-naphthalene structure
Product Name:1-Methyl-5-nitro-naphthalene
CAS No:91137-27-8
MF:C11H9NO2
MW:187.194662809372
CID:815866
PubChem ID:93496
Update Time:2025-04-19

1-Methyl-5-nitro-naphthalene Chemical and Physical Properties

Names and Identifiers

    • 1-Methyl-5-nitro-naphthalene
    • 1-Methyl-5-nitronaphthalene
    • 1-Methyl-5-nitronaphthalene100μg
    • 1-Methyl-5-nitro-naphthalin
    • 1-Nitro-5-methyl-naphthalin
    • 5-nitro-1-methylnaphthalene
    • 5-Methyl-1-nitronaphthalene
    • 91137-27-8
    • SCHEMBL5728848
    • UNII-1EQU0EI050
    • DTXSID80238420
    • 1EQU0EI050
    • AKOS005387091
    • Naphthalene, 1-methyl-5-nitro-
    • CCRIS 7757
    • Inchi: 1S/C11H9NO2/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14/h2-7H,1H3
    • InChI Key: AOSRALZFDNFXFZ-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1=CC=CC2=C(C)C=CC=C21)=O

Computed Properties

  • Exact Mass: 187.06300
  • Monoisotopic Mass: 187.063329
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 224
  • 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: 3.6
  • Topological Polar Surface Area: 45.8

Experimental Properties

  • Density: 1.234
  • Boiling Point: 324.6°Cat760mmHg
  • Flash Point: 155.5°C
  • Refractive Index: 1.652
  • PSA: 45.82000
  • LogP: 3.57960
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