Cas no 63017-87-8 (1-methyl-2-nitronaphthalene)

1-methyl-2-nitronaphthalene structure
1-methyl-2-nitronaphthalene structure
Product Name:1-methyl-2-nitronaphthalene
CAS No:63017-87-8
MF:C11H9NO2
MW:187.194662809372
CID:958520
PubChem ID:44260
Update Time:2025-04-19

1-methyl-2-nitronaphthalene Chemical and Physical Properties

Names and Identifiers

    • 1-methyl-2-nitronaphthalene
    • 1-Methyl-2-nitronaphthalen
    • 1-methyl-2-nitro-naphthalene
    • 1-Methyl-2-nitro-naphthalin
    • 2-nitro-1-methylnaphthalene
    • 2-Nitro-1-methyl-naphthalin
    • NAPHTHALENE,1-METHYL-2-NITRO
    • DTXSID80212240
    • CCRIS 7762
    • SCHEMBL5941164
    • NAPHTHALENE, 1-METHYL-2-NITRO-
    • 63017-87-8
    • DB-083779
    • BRN 1872264
    • NSC153683
    • IG6TB7V6S8
    • CHEMBL165367
    • 4-05-00-01693 (Beilstein Handbook Reference)
    • UNII-IG6TB7V6S8
    • NSC 153683
    • NSC-153683
    • Inchi： 1S/C11H9NO2/c1-8-10-5-3-2-4-9(10)6-7-11(8)12(13)14/h2-7H,1H3
    • InChI Key： PZVVTJCDVSSMPC-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1=CC=C2C=CC=CC2=C1C)=O

Computed Properties

  • Exact Mass: 187.06300
  • Monoisotopic Mass: 187.063328530g/mol
  • 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: 3.4
  • Topological Polar Surface Area: 45.8?2

Experimental Properties

  • PSA: 45.82000
  • LogP: 3.57960

1-methyl-2-nitronaphthalene Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Nitric acid Catalysts: Copper(II) triflate Solvents: 1-Butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide
Reference
Green synthesis: Aromatic nitrations in room-temperature ionic liquids
Handy, Scott T.; Egrie, Cristina R., ACS Symposium Series, 2002, 818, 134-146

1-methyl-2-nitronaphthalene Preparation Products

1-methyl-2-nitronaphthalene Related Literature

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