2,4-Dichloro-1-naphthol [for photography] - ≥97%(GC)(T) , CAS No.2050-76-2

CAS: 2050-76-2 Cat. No.: D155558 Molecular Weight: 213.06 Beilstein Registry Number: 6612 EC Number: 218-103-6

GRADE & PURITY ≥97%(GC)(T)

Synonyms

1-Naphthol, 2,4-dichloro- | 2.4-Dichloro-1-naphthol | 1-Naphthalenol, 2,4-dichloro- | AI3-00183 | D0383 | 2,4-dichloro-1-hydroxynaphthalene | 2,4-dichloronaphth-1-ol | 2,4-Dichloro-1-naphthol | 2,4-Dichloronaphthol | 1-Naphthalenol,4-dichloro- | 1-Naphtho

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-Naphthol, 2, 4-dichloro- | 2.4-Dichloro-1-naphthol | 1-Naphthalenol, 2, 4-dichloro- | AI3-00183 | D0383 | 2, 4-dichloro-1-hydroxynaphthalene | 2, 4-dichloronaphth-1-ol | 2, 4-Dichloro-1-naphthol | 2, 4-Dichloronaphthol | 1-Naphthalenol, 4-dichloro- | 1-Naphtho

Specifications & Purity

≥97%(GC)(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(GC)(T)

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)C(=CC(=C2O)Cl)Cl
• IUPAC Name: 2,4-dichloronaphthalen-1-ol
• InChIKey: HVLJEMXDXOTWLV-UHFFFAOYSA-N
• INCHI: 1S/C10H6Cl2O/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,13H
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CC(=C2O)Cl)Cl
• WGK Germany: 3
• Molecular Weight: 213.06
• Beilstein: 6612
• Reaxy-Rn: 513658
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=513658&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: Chloronaphthalenes Aryl chlorides Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Chloronaphthalene - 1-naphthol - Aryl halide - Aryl chloride - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homopolycyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: pyridine: soluble 5%, clear, colorless to dark yellow
• Melt Point(°C): 104-107°C
• Molecular Weight: 213.060 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 211.98 Da
• Monoisotopic Mass: 211.98 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 186.000
• 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

References

1. Qu Shuzhang, Li Haokun, Song Jianhui, Wang Wei.  (2022)  Syndiospecific polymerization of styrene by half-metallocene with a naphthoxy group ligand.  JOURNAL OF POLYMER RESEARCH,  30  (1): (1-8).  [PMID:] [10.1007/s10965-022-03411-w]