Cas no 76590-21-1 (Benzenamine, 4-[(4-chloro-1-naphthalenyl)oxy]-)

Benzenamine, 4-[(4-chloro-1-naphthalenyl)oxy]-, is a specialized aromatic amine derivative featuring a naphthalene core linked via an ether bridge to a benzene ring with an amino group. This compound exhibits unique structural characteristics due to the combination of a chloro-substituted naphthalene moiety and an aniline group, making it valuable in synthetic chemistry and material science applications. Its electron-rich aromatic system and reactive amino group enable its use as an intermediate in the synthesis of dyes, pharmaceuticals, and advanced organic materials. The chloro substituent enhances its reactivity in cross-coupling reactions, while the ether linkage provides stability. This compound is particularly useful in designing functional molecules with tailored optical or electronic properties.
Benzenamine, 4-[(4-chloro-1-naphthalenyl)oxy]- structure
76590-21-1 structure
Product Name:Benzenamine, 4-[(4-chloro-1-naphthalenyl)oxy]-
CAS No:76590-21-1
MF:C16H12ClNO
MW:269.725583076477
CID:537556
PubChem ID:13246011
Update Time:2025-07-02

Benzenamine, 4-[(4-chloro-1-naphthalenyl)oxy]- Chemical and Physical Properties

Names and Identifiers

    • Benzenamine, 4-[(4-chloro-1-naphthalenyl)oxy]-
    • 4-(4-chloronaphthalen-1-yl)oxyaniline
    • DTXSID10531698
    • 4-[(4-chloronaphthalen-1-yl)oxy]aniline
    • 4-[(4-CHLORO-1-NAPHTHYL)OXY]ANILINE
    • 4-((4-Chloronaphthalen-1-yl)oxy)aniline
    • SCHEMBL10964527
    • 76590-21-1
    • AKOS009990099
    • Inchi： 1S/C16H12ClNO/c17-15-9-10-16(14-4-2-1-3-13(14)15)19-12-7-5-11(18)6-8-12/h1-10H,18H2
    • InChI Key： ZKDDFKIOAIQYSX-UHFFFAOYSA-N
    • SMILES： ClC1=CC=C(C2=CC=CC=C21)OC1C=CC(=CC=1)N

Computed Properties

  • Exact Mass: 269.06086
  • Monoisotopic Mass: 269.0607417g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 291
  • 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: 4.9
  • Topological Polar Surface Area: 35.2?2

Experimental Properties

  • Color/Form: NA
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 445.7±25.0 °C at 760 mmHg
  • Flash Point: 183.0±23.2 °C
  • PSA: 35.25

Benzenamine, 4-[(4-chloro-1-naphthalenyl)oxy]- Security Information

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