Diethyl Phenyl Orthoformate - ≥97%(GC) , CAS No.14444-77-0

CAS: 14444-77-0 Cat. No.: D154494 Summenformel: C₁₁H₁₆O₃ Molekulargewicht: 196.25 EG-Nummer: 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

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥97%(GC)

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥97%(GC)

Namen und Kennungen

Kanonisches Lächeln

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

Isomere SMILES

CCOC(OCC)OC1=CC=CC=C1

WGK Deutschland

3

Molekulargewicht

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
    • Klasse Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive.
• Brechungsindex: 1.48
• Flammpunkt (°C): 65 °C
• Siedepunkt (°C): 104 °C/9.8 mmHg
• Schmelzpunkt (°C): -26 °C
• Molekulargewicht: 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