4-Ethoxyl-4’-cyanobiphenyl - ≥97% , CAS No.58743-78-5

CAS: 58743-78-5 Cat. No.: E134221 Formula: C₁₅H₁₃NO Peso molecolare: 223.27 Numero EC: 261-417-3

GRADE & PURITY ≥97%

Synonyms

SY057241 | 4'-Ethoxy[1,1'-biphenyl]-4-carbonitrile # | FGD8E8Q3MH | A832003 | AKOS004116872 | EINECS 261-417-3 | M6 | 4 inverted exclamation mark -Ethoxy-[1,1 inverted exclamation mark -biphenyl]-4-carbonitrile | 4'-Ethoxy(1,1'-biphenyl)-4-carbonitrile |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

SY057241 | 4'-Ethoxy[1,1'-biphenyl]-4-carbonitrile # | FGD8E8Q3MH | A832003 | AKOS004116872 | EINECS 261-417-3 | M6 | 4 inverted exclamation mark -Ethoxy-[1,1 inverted exclamation mark -biphenyl]-4-carbonitrile | 4'-Ethoxy(1,1'-biphenyl)-4-carbonitrile |

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488186798
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186798
• Sorrisi canonici: CCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
• IUPAC Name: 4-(4-ethoxyphenyl)benzonitrile
• InChIKey: VETJRGXWDLHERN-UHFFFAOYSA-N
• INCHI: 1S/C15H13NO/c1-2-17-15-9-7-14(8-10-15)13-5-3-12(11-16)4-6-13/h3-10H,2H2,1H3
• Isomeri SMILES: CCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
• Peso molecolare: 223.27
• Reaxy-Rn: 2839949
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2839949&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenylcarbonitriles
• Alternative Parents: Phenoxy compounds Phenol ethers Benzonitriles Alkyl aryl ethers Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenylcarbonitrile - Phenoxy compound - Phenol ether - Benzonitrile - Alkyl aryl ether - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl group.
• 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

• Solubilità: Soluble in Toluene
• Punto di fusione (°C): 102 °C
• Peso molecolare: 223.270 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 223.1 Da
• Monoisotopic Mass: 223.1 Da
• Topological Polar Surface Area: 33.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 264.000
• 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.

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 58743-78-5, the molecular formula is C15H13NO, and the molecular weight is 223.27 g/mol. InChIKey VETJRGXWDLHERN-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.