2-ethoxynaphthalene-1-carbaldehyde - ≥98% , CAS No.19523-57-0

CAS: 19523-57-0 Cat. No.: E131825 Formule: C₁₃H₁₂O₂ Poids moléculaire: 200.24 Beilstein Registry Number: 8(3)1110 Numéro CE: 243-126-3

GRADE & PURITY ≥98%

Synonyms

E0794 | EC-000.1506 | EINECS 243-126-3 | MFCD00046427 | TimTec1_003560 | 2-Ethoxynaphthaldehyde | STK072389 | BBL023137 | DTXSID4075164 | NCGC00328070-01 | NSC74560 | NSC-74560 | W-107693 | 1-Naphthaldehyde, 2-ethoxy- | 1-Naphthalenecarboxaldehyde, 2-etho

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonymes

E0794 | EC-000.1506 | EINECS 243-126-3 | MFCD00046427 | TimTec1_003560 | 2-Ethoxynaphthaldehyde | STK072389 | BBL023137 | DTXSID4075164 | NCGC00328070-01 | NSC74560 | NSC-74560 | W-107693 | 1-Naphthaldehyde, 2-ethoxy- | 1-Naphthalenecarboxaldehyde, 2-etho

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488186474

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186474

Sourires canoniques

CCOC1=C(C2=CC=CC=C2C=C1)C=O

IUPAC Name

2-ethoxynaphthalene-1-carbaldehyde

InChIKey

IMNKQTWVJHODOS-UHFFFAOYSA-N

INCHI

1S/C13H12O2/c1-2-15-13-8-7-10-5-3-4-6-11(10)12(13)9-14/h3-9H,2H2,1H3

Isomères SMILES

CCOC1=C(C2=CC=CC=C2C=C1)C=O

Poids moléculaire

200.24

Beilstein

8(3)1110

Reaxy-Rn

1073578

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1073578&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: Aryl-aldehydes Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - 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

Propriétés chimiques et physiques

• Sensibilité: Air Sensitive
• Point de fusion (°C): 112 °C
• Poids moléculaire: 200.230 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 200.084 Da
• Monoisotopic Mass: 200.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 215.000
• 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