Cas no 5859-45-0 (Naphthalene,1-chloro-2-methyl-)

Naphthalene,1-chloro-2-methyl- structure
5859-45-0 structure
Product Name:Naphthalene,1-chloro-2-methyl-
CAS No:5859-45-0
MF:C11H9Cl
MW:176.642162084579
CID:376126
PubChem ID:138615
Update Time:2025-04-19

Naphthalene,1-chloro-2-methyl- Chemical and Physical Properties

Names and Identifiers

    • Naphthalene,1-chloro-2-methyl-
    • 1-Chloro-2-methylnaphthalene
    • A841700
    • CCG-40545
    • SCHEMBL1755226
    • 5859-45-0
    • NS00132980
    • DTXSID90207304
    • 1-Chloro-2-methyl naphthalene
    • 2-methyl-1-chloronaph-thalene
    • NSC 86134
    • AKOS017518440
    • 1-chloro-2-methyl-naphthalene
    • Naphthalene, 1-chloro-2-methyl-
    • NSC86134
    • NSC-86134
    • Inchi: 1S/C11H9Cl/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7H,1H3
    • InChI Key: MNCMVFFWMBXFLK-UHFFFAOYSA-N
    • SMILES: ClC1=C(C)C=CC2C=CC=CC=21

Computed Properties

  • Exact Mass: 176.03937
  • Monoisotopic Mass: 176.0392780g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 155
  • 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: 4.2
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 1.1356 (estimate)
  • Melting Point: 40.25°C (estimate)
  • Boiling Point: 291.26°C (estimate)
  • Refractive Index: 1.6265
  • PSA: 0
  • LogP: 3.80160
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