2-éthoxybenzaldéhydes - ≥98%(GC) , CAS No.613-69-4

CAS: 613-69-4 Cat. No.: E123026 Formule: C₉H₁₀O₂ Poids moléculaire: 150.17 Beilstein Registry Number: 1937270 Numéro CE: 210-349-2

GRADE & PURITY ≥98%(GC)

Synonyms

FT-0612205 | NSC 1783 | UNII-7LT24CX9U3 | ortho-Ethoxybenzaldehyde | 2-Ethoxy benzaldehyde | STK397319 | Benzaldehyde, 2-ethoxy- | AM20050245 | EINECS 210-349-2 | Ethoxybenzaldehyde, 2- | 7LT24CX9U3 | AI3-01358 | o-Ethoxybenzaldehyde | Integrase inhibitor

Storage

Stocker à 2-8°C, chargé d'argon

Shipped In

Glace humide

Specifications

Synonymes

FT-0612205 | NSC 1783 | UNII-7LT24CX9U3 | ortho-Ethoxybenzaldehyde | 2-Ethoxy benzaldehyde | STK397319 | Benzaldehyde, 2-ethoxy- | AM20050245 | EINECS 210-349-2 | Ethoxybenzaldehyde, 2- | 7LT24CX9U3 | AI3-01358 | o-Ethoxybenzaldehyde | Integrase inhibitor

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Stocker à 2-8°C, chargé d'argon

Expédié en

Glace humide

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 504752224
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752224
• Sourires canoniques: CCOC1=CC=CC=C1C=O
• IUPAC Name: 2-ethoxybenzaldehyde
• InChIKey: DUVJMSPTZMCSTQ-UHFFFAOYSA-N
• INCHI: 1S/C9H10O2/c1-2-11-9-6-4-3-5-8(9)7-10/h3-7H,2H2,1H3
• Isomères SMILES: CCOC1=CC=CC=C1C=O
• WGK Allemagne: 3
• Poids moléculaire: 150.17
• Beilstein: 1937270
• Reaxy-Rn: 1937270
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1937270&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Benzoyl derivatives Benzaldehydes Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Benzoyl - Benzaldehyde - Aryl-aldehyde - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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
• Indice de réfraction: 1.54
• Point d'éclair (°F): 197.6 °F
• Point d'éclair (°C): 92°C
• Point d'ébullition (°C): 249°C
• Poids moléculaire: 150.170 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 150.068 Da
• Monoisotopic Mass: 150.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 123.000
• 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