1-Hydroxy-2-naphthaldehyde - ≥98%(GC) , CAS No.574-96-9

CAS: 574-96-9 Cat. No.: H156877 Fórmula: C₁₁H₈O₂ Peso molecular: 172.18 Número EC: 679-991-2

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS006282270 | EN300-194451 | 1-Naphthol-2-carboxaldehyde | 1-hydroxy-2-naphtoaldehyde | (z)-2-(hydroxylmethylene)naphthalen-1(2h)-one | H0839 | Z1201619052 | AKOS006228781 | CHEBI:28091 | SCHEMBL589343 | FT-0632420 | (+)-.ALPHA.-DIMORPHECOLIC ACID | OIT

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

AKOS006282270 | EN300-194451 | 1-Naphthol-2-carboxaldehyde | 1-hydroxy-2-naphtoaldehyde | (z)-2-(hydroxylmethylene)naphthalen-1(2h)-one | H0839 | Z1201619052 | AKOS006228781 | CHEBI:28091 | SCHEMBL589343 | FT-0632420 | (+)-.ALPHA.-DIMORPHECOLIC ACID | OIT

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488189805
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189805
• Sonrisas canónicas: C1=CC=C2C(=C1)C=CC(=C2O)C=O
• IUPAC Name: 1-hydroxynaphthalene-2-carbaldehyde
• InChIKey: OITQDWKMIPXGFL-UHFFFAOYSA-N
• INCHI: 1S/C11H8O2/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h1-7,13H
• Isómeros SMILES: C1=CC=C2C(=C1)C=CC(=C2O)C=O
• Peso molecular: 172.18
• Reaxy-Rn: 1564255
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1564255&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: Aryl-aldehydes 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthol - 1-hydroxy-4-unsubstituted benzenoid - Aryl-aldehyde - Vinylogous acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homopolycyclic compound
• Descripción: 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: naphthols - naphthaldehydes

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

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 56℃
• Peso molecular: 172.180 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 172.052 Da
• Monoisotopic Mass: 172.052 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 191.000
• 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