2-Methoxy-5-methylbenzonitrile - ≥97% , CAS No.53078-70-9

CAS: 53078-70-9 Cat. No.: M471258 Formula: C₉H₉NO Peso molecolare: 147.17 Numero EC: 622-713-1

GRADE & PURITY ≥97%

Synonyms

AM804005 | FS-4348 | SCHEMBL5029109 | DTXSID00396612 | MFCD03425693 | MYOASWSDRGHGLN-UHFFFAOYSA-N | AKOS005151585 | A7731 | FT-0676575 | SY023524 | 2-Methoxy-5-methylbenzonitrile, 97% | 2-Cyano-4-methylanisole | 2-Methoxy-5-methylbenzonitrile | 2-methoxy-

Storage

Room temperature

Specifications

Sinonimi

AM804005 | FS-4348 | SCHEMBL5029109 | DTXSID00396612 | MFCD03425693 | MYOASWSDRGHGLN-UHFFFAOYSA-N | AKOS005151585 | A7731 | FT-0676575 | SY023524 | 2-Methoxy-5-methylbenzonitrile, 97% | 2-Cyano-4-methylanisole | 2-Methoxy-5-methylbenzonitrile | 2-methoxy-

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488194572

Sorrisi canonici

CC1=CC(=C(C=C1)OC)C#N

IUPAC Name

2-methoxy-5-methylbenzonitrile

InChIKey

MYOASWSDRGHGLN-UHFFFAOYSA-N

INCHI

1S/C9H9NO/c1-7-3-4-9(11-2)8(5-7)6-10/h3-5H,1-2H3

Isomeri SMILES

CC1=CC(=C(C=C1)OC)C#N

WGK Germania

3

Peso molecolare

147.17

Reaxy-Rn

2574938

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2574938&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzonitriles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Toluenes Alkyl aryl ethers Nitriles Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Benzonitrile - Methoxybenzene - Phenol ether - Alkyl aryl ether - Toluene - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• 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

Proprietà chimiche e fisiche

• Indice di rifrazione: n20/D 1.5430 (lit.)
• Punto di infiammabilità (°F): >230 °F
• Punto di infiammabilità (°C): >110 °C
• Punto di ebollizione (°C): 160 °C/15 mmHg (lit.)
• Peso molecolare: 147.170 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 147.068 Da
• Monoisotopic Mass: 147.068 Da
• Topological Polar Surface Area: 33.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 170.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 53078-70-9, the molecular formula is C9H9NO, and the molecular weight is 147.17 g/mol. InChIKey MYOASWSDRGHGLN-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.