Diethyl Phenyl Orthoformate - ≥97.0%(GC) , CAS No.14444-77-0

CAS: 14444-77-0 Cat. No.: D154494 Peso molecular: 196.25 Número EC: 238-421-9

GRADE & PURITY ≥97%(GC)

Synonyms

Diethyl phenyl orthoformate | Benzene, (diethoxymethoxy)- | Diethoxyphenoxymethane | Diethoxy(phenoxy)methane | EINECS 238-421-9 | diethoxymethoxybenzene | diethoxymethoxy-benzene | Orthoformic Acid Diethyl Phenyl Ester | (Diethoxymethoxy)benzene | phenyl

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Diethyl phenyl orthoformate | Benzene, (diethoxymethoxy)- | Diethoxyphenoxymethane | Diethoxy(phenoxy)methane | EINECS 238-421-9 | diethoxymethoxybenzene | diethoxymethoxy-benzene | Orthoformic Acid Diethyl Phenyl Ester | (Diethoxymethoxy)benzene | phenyl

Especificaciones y pureza

≥97.0%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Sonrisas canónicas: CCOC(OCC)OC1=CC=CC=C1
• IUPAC Name: diethoxymethoxybenzene
• InChIKey: QTURWMMVIIBRRP-UHFFFAOYSA-N
• INCHI: 1S/C11H16O3/c1-3-12-11(13-4-2)14-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
• Isómeros SMILES: CCOC(OCC)OC1=CC=CC=C1
• WGK Alemania: 3
• Peso molecular: 196.25
• Reaxy-Rn: 1872634
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1872634&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Ortho esters Carboxylic acid orthoesters Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Ortho ester - Carboxylic acid orthoester - Monocyclic benzene moiety - Orthocarboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive.
• Índice de refracción: 1.48
• Punto de inflamación (°C): 65 °C
• Punto de ebullición (°C): 104 °C/9.8 mmHg
• Punto de fusión (°C): -26 °C
• Peso molecular: 196.240 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 196.11 Da
• Monoisotopic Mass: 196.11 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 126.000
• 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