4-Methoxy-1-naphthol - ≥98%(GC) , CAS No.84-85-5

CAS: 84-85-5 Cat. No.: M158049 Summenformel: C₁₁H₁₀O₂ Molekulargewicht: 174.2 Beilstein Registry Number: 1818470 EG-Nummer: 201-566-3

GRADE & PURITY ≥98%(GC)

Synonyms

1-Hydroxy-4-methoxynaphthalene | 1,4-Naphthohydroquinone monomethyl ether | 1-Naphthalenol, 4-methoxy- | 1,4-dihydroxynaphthalene monomethyl ether | DS-11800 | walrycin A | 4-methoxy-1-naphthalenol | 4-methoxynaphth-1-ol | SY045974 | 4-methoxynaphthol | A

Storage

Room temperature,Argon charged

Shipped In

Normal

Übersicht

application：

4-Methoxy-1-naphthol was used in the synthesis of 3-(4-hydroxy-1-naphthoxy)lactic acid (4-HO-NLA).

Specifications

Synonyme

1-Hydroxy-4-methoxynaphthalene | 1,4-Naphthohydroquinone monomethyl ether | 1-Naphthalenol, 4-methoxy- | 1,4-dihydroxynaphthalene monomethyl ether | DS-11800 | walrycin A | 4-methoxy-1-naphthalenol | 4-methoxynaphth-1-ol | SY045974 | 4-methoxynaphthol | A

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 504754077
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754077
• Kanonisches Lächeln: COC1=CC=C(C2=CC=CC=C21)O
• IUPAC Name: 4-methoxynaphthalen-1-ol
• InChIKey: BOTGCZBEERTTDQ-UHFFFAOYSA-N
• INCHI: 1S/C11H10O2/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7,12H,1H3
• Isomere SMILES: COC1=CC=C(C2=CC=CC=C21)O
• WGK Deutschland: 3
• Molekulargewicht: 174.2
• Beilstein: 1818470
• Reaxy-Rn: 1818465
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1818465&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthol - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive
• Schmelzpunkt (°C): 126-129 °C (lit.)
• Molekulargewicht: 174.200 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.068 Da
• Monoisotopic Mass: 174.068 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 169.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1