2-Methoxy-1-naphthaldehyde - ≥99% , CAS No.5392-12-1

CAS: 5392-12-1 Cat. No.: M137264 Formule: C₁₂H₁₀O₂ Poids moléculaire: 186.21 Beilstein Registry Number: 8(4)1161 Numéro CE: 226-392-5

GRADE & PURITY ≥99%

Synonyms

Z53833408 | NSC 3256 | NSC3256 | NSC-3256 | 1-Naphthalenecarboxaldehyde, 2-methoxy- | M1040 | MFCD00014498 | 2-methoxynaphthaldehyde | A18874 | P-Anisyldithiophosphonic anhydride | BDBM50013800 | NSC28471 | NSC-28471 | AKOS000268613 | NSC 28471 | STL03303

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

Z53833408 | NSC 3256 | NSC3256 | NSC-3256 | 1-Naphthalenecarboxaldehyde, 2-methoxy- | M1040 | MFCD00014498 | 2-methoxynaphthaldehyde | A18874 | P-Anisyldithiophosphonic anhydride | BDBM50013800 | NSC28471 | NSC-28471 | AKOS000268613 | NSC 28471 | STL03303

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥99%

Noms et identifiants

Pubchem Sid

508808460

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808460

Sourires canoniques

COC1=C(C2=CC=CC=C2C=C1)C=O

IUPAC Name

2-methoxynaphthalene-1-carbaldehyde

InChIKey

YIQGLTKAOHRZOL-UHFFFAOYSA-N

INCHI

1S/C12H10O2/c1-14-12-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-8H,1H3

Isomères SMILES

COC1=C(C2=CC=CC=C2C=C1)C=O

Poids moléculaire

186.21

Beilstein

8(4)1161

Reaxy-Rn

1868308

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1868308&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Anisoles Aryl-aldehydes Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Anisole - Aryl-aldehyde - Alkyl aryl ether - Ether - 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 naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Air Sensitive
• Point d'ébullition (°C): 205 °C/18 mmHg
• Point de fusion (°C): 84 °C
• Poids moléculaire: 186.210 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 186.068 Da
• Monoisotopic Mass: 186.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 202.000
• 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