2-Methoxybenzonitrile - ≥98% , CAS No.6609-56-9

CAS: 6609-56-9 Cat. No.: M120888 Formule: C₈H₇NO Poids moléculaire: 133.15 Beilstein Registry Number: 2207134 Numéro CE: 229-559-0

QUALITÉ & PURETÉ ≥98%

Synonyms

EN300-16147 | J-509853 | 2-Cyanoanisole | 2-Methoxybenzonitrile | 2-methoxy-benzonitrile | EINECS 229-559-0 | Threo-3-phenyl-DL-serine | 2-(methyloxy)benzonitrile | AB00156 | STR04854 | M1280 | F0001-1762 | DTXSID10216291 | methoxybenzonitrile | AM2005016

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Surface-enhanced Raman spectra study of 2-methoxybenzonitrile has been reported.
2-Methoxybenzonitrile was used in the synthesis of 5-(4′-methyl [1,1′-biphenyl]-2-yl)-1H-tetrazole.

Spécifications

Synonymes

EN300-16147 | J-509853 | 2-Cyanoanisole | 2-Methoxybenzonitrile | 2-methoxy-benzonitrile | EINECS 229-559-0 | Threo-3-phenyl-DL-serine | 2-(methyloxy)benzonitrile | AB00156 | STR04854 | M1280 | F0001-1762 | DTXSID10216291 | methoxybenzonitrile | AM2005016

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504755494

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755494

Sourires canoniques

COC1=CC=CC=C1C#N

IUPAC Name

2-methoxybenzonitrile

InChIKey

FSTPMFASNVISBU-UHFFFAOYSA-N

INCHI

1S/C8H7NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,1H3

Isomères SMILES

COC1=CC=CC=C1C#N

WGK Allemagne

3

Numéro ONU

2811

Groupe d'emballage

III

Poids moléculaire

133.15

Beilstein

2207134

Reaxy-Rn

2207134

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2207134&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 Alkyl aryl ethers Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Benzonitrile - Methoxybenzene - Phenol ether - Alkyl aryl ether - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Slightly soluble in water; Very soluble in Ethanol,Ether
• Indice de réfraction: 1.5465
• Point d'éclair (°F): 235.4 °F
• Point d'éclair (°C): >110°(230°F)
• Point d'ébullition (°C): 256°C
• Point de fusion (°C): 25 °C
• Poids moléculaire: 133.150 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 133.053 Da
• Monoisotopic Mass: 133.053 Da
• Topological Polar Surface Area: 33.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 147.000
• 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

Foire aux questions

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 6609-56-9, the molecular formula is C8H7NO, and the molecular weight is 133.15 g/mol. InChIKey FSTPMFASNVISBU-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.