4′-Methoxy-[1,1′-biphenyl]-4-carboxaldehyde - ≥97% , CAS No.52988-34-8

CAS: 52988-34-8 Cat. No.: M334761 Molecular Weight: 212.25 EC Number: 692-469-9

GRADE & PURITY ≥97%

Synonyms

4-formyl-4'-methoxy-1,1'-biphenyl | DTXSID80362754 | 4'-Methoxy-biphenyl-4-carboxaldehyde | 4'-methoxybiphenyl-4-carboxaldehyde | 4-methoxybiphenyl-4'-carboxaldehyde | AMY33276 | 4-(4-methoxy)benzaldehyde | EN300-265776 | 4-(4-methoxyphenyl)benzaldehyde,

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

4-formyl-4'-methoxy-1, 1'-biphenyl | DTXSID80362754 | 4'-Methoxy-biphenyl-4-carboxaldehyde | 4'-methoxybiphenyl-4-carboxaldehyde | 4-methoxybiphenyl-4'-carboxaldehyde | AMY33276 | 4-(4-methoxy)benzaldehyde | EN300-265776 | 4-(4-methoxyphenyl)benzaldehyde,

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488191820
• Canonical Smiles: COC1=CC=C(C=C1)C2=CC=C(C=C2)C=O
• IUPAC Name: 4-(4-methoxyphenyl)benzaldehyde
• InChIKey: JTTIGLYPLMYHAT-UHFFFAOYSA-N
• INCHI: 1S/C14H12O2/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-10H,1H3
• Isomeric SMILES: COC1=CC=C(C=C1)C2=CC=C(C=C2)C=O
• Molecular Weight: 212.25
• Reaxy-Rn: 2260394
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2260394&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzoyl derivatives Benzaldehydes Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Phenoxy compound - Anisole - Benzaldehyde - Methoxybenzene - Phenol ether - Benzoyl - Alkyl aryl ether - Aryl-aldehyde - Ether - Aldehyde - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Chemical and Physical Properties

• Sensitivity: air sensitive
• Melt Point(°C): 103-106 °C
• Molecular Weight: 212.240 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 212.084 Da
• Monoisotopic Mass: 212.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 211.000
• 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