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

CAS: 574-96-9 Cat. No.: H156877 Formule: C₁₁H₈O₂ Poids moléculaire: 172.18 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 488189805
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189805
• Sourires canoniques: 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
• Isomères SMILES: C1=CC=C2C(=C1)C=CC(=C2O)C=O
• Poids moléculaire: 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
    • Classe Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• 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: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in Methanol
• Sensibilité: Air Sensitive
• Point de fusion (°C): 56℃
• Poids moléculaire: 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