2,6-Dibenzyloxybenzonitril - ≥98% , CAS No.94088-47-8

CAS: 94088-47-8 Cat. No.: D357153 Summenformel: C₂₁H₁₇NO₂ Molekulargewicht: 315.37 EG-Nummer: 302-048-0

GRADE & PURITY ≥98%

Synonyms

E81618 | 2,6-Bis(phenylmethoxy)benzonitrile | AKOS015950789 | 2,6-bis(benzyloxy)benzonitrile | SCHEMBL5741190 | 2,6-DIBENZYLOXYBENZONITRILE | Benzonitrile,2,6-bis(phenylmethoxy)- | EINECS 302-048-0 | VMVKBYOKFOFDOD-UHFFFAOYSA-N | FT-0610536 | MFCD00016874

Storage

Raumtemperatur

Shipped In

Normal

Specifications

Synonyme

E81618 | 2,6-Bis(phenylmethoxy)benzonitrile | AKOS015950789 | 2,6-bis(benzyloxy)benzonitrile | SCHEMBL5741190 | 2,6-DIBENZYLOXYBENZONITRILE | Benzonitrile,2,6-bis(phenylmethoxy)- | EINECS 302-048-0 | VMVKBYOKFOFDOD-UHFFFAOYSA-N | FT-0610536 | MFCD00016874

Spezifikationen & Reinheit

≥98%

Storage

Raumtemperatur

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488194190

Kanonisches Lächeln

C1=CC=C(C=C1)COC2=C(C(=CC=C2)OCC3=CC=CC=C3)C#N

IUPAC Name

2,6-bis(phenylmethoxy)benzonitrile

InChIKey

VMVKBYOKFOFDOD-UHFFFAOYSA-N

INCHI

1S/C21H17NO2/c22-14-19-20(23-15-17-8-3-1-4-9-17)12-7-13-21(19)24-16-18-10-5-2-6-11-18/h1-13H,15-16H2

Isomere SMILES

C1=CC=C(C=C1)COC2=C(C(=CC=C2)OCC3=CC=CC=C3)C#N

Molekulargewicht

315.37

Reaxy-Rn

2767023

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2767023&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 Benzonitriles Alkyl aryl ethers Nitriles Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Benzonitrile - Alkyl aryl ether - Monocyclic benzene moiety - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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

• Schmelzpunkt (°C): 122-124° C
• Molekulargewicht: 315.400 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 315.126 Da
• Monoisotopic Mass: 315.126 Da
• Topological Polar Surface Area: 42.300 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 373.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 94088-47-8, the molecular formula is C21H17NO2, and the molecular weight is 315.37 g/mol. InChIKey VMVKBYOKFOFDOD-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.