3-(2-Methoxyethoxy)benzonitrile - ≥95% , CAS No.80407-67-6

CAS: 80407-67-6 Cat. No.: M186699 Summenformel: C₁₀H₁₁NO₂ Molekulargewicht: 177.2 EG-Nummer: 138-858-4

GRADE & PURITY ≥95%

Synonyms

AMY4721 | I11648 | FT-0654774 | A839903 | 3-(2-METHOXYETHOXY)BENZONITRILE | 3-(2-methoxy-ethoxy)-benzonitrile | MFCD09907640 | QBSDNRJPVUFLJW-UHFFFAOYSA-N | SCHEMBL2908379 | BS-17632 | Z167790152 | DTXSID00640985 | EN300-54195 | AKOS000195072

Storage

Raumtemperatur

Shipped In

Normal

Specifications

Synonyme

AMY4721 | I11648 | FT-0654774 | A839903 | 3-(2-METHOXYETHOXY)BENZONITRILE | 3-(2-methoxy-ethoxy)-benzonitrile | MFCD09907640 | QBSDNRJPVUFLJW-UHFFFAOYSA-N | SCHEMBL2908379 | BS-17632 | Z167790152 | DTXSID00640985 | EN300-54195 | AKOS000195072

Spezifikationen & Reinheit

≥95%

Storage

Raumtemperatur

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: COCCOC1=CC=CC(=C1)C#N
• IUPAC Name: 3-(2-methoxyethoxy)benzonitrile
• InChIKey: QBSDNRJPVUFLJW-UHFFFAOYSA-N
• INCHI: 1S/C10H11NO2/c1-12-5-6-13-10-4-2-3-9(7-10)8-11/h2-4,7H,5-6H2,1H3
• Isomere SMILES: COCCOC1=CC=CC(=C1)C#N
• Molekulargewicht: 177.2
• Reaxy-Rn: 9758595
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9758595&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 Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Cyanide - Organic oxygen 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

• Molekulargewicht: 177.200 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 177.079 Da
• Monoisotopic Mass: 177.079 Da
• Topological Polar Surface Area: 42.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 185.000
• 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 ≥95% 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 80407-67-6, the molecular formula is C10H11NO2, and the molecular weight is 177.2 g/mol. InChIKey QBSDNRJPVUFLJW-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.