Bis(2-formylphenyl) Ether - ≥98% , CAS No.49590-51-4

CAS: 49590-51-4 Cat. No.: B151871 Formula: C₁₄H₁₀O₃ Molecular Weight: 226.23

GRADE & PURITY ≥98%

Synonyms

Bis-(2-formylphenyl)ether | LMJZLKFWMQOYKU-UHFFFAOYSA-N | DTXSID00346758 | LMJZLKFWMQOYKU-UHFFFAOYSA- | InChI=1/C14H10O3/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16/h1-10H | MFCD00191616 | FT-0639870 | SCHEMBL4434944 | AKOS015837472 | 2,2'-Diformyldi

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Synonyms

Bis-(2-formylphenyl)ether | LMJZLKFWMQOYKU-UHFFFAOYSA-N | DTXSID00346758 | LMJZLKFWMQOYKU-UHFFFAOYSA- | InChI=1/C14H10O3/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16/h1-10H | MFCD00191616 | FT-0639870 | SCHEMBL4434944 | AKOS015837472 | 2,2'-Diformyldi

Specifications & Purity

≥98%

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C(=C1)C=O)OC2=CC=CC=C2C=O
• IUPAC Name: 2-(2-formylphenoxy)benzaldehyde
• InChIKey: LMJZLKFWMQOYKU-UHFFFAOYSA-N
• INCHI: 1S/C14H10O3/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16/h1-10H
• Isomeric SMILES: C1=CC=C(C(=C1)C=O)OC2=CC=CC=C2C=O
• Molecular Weight: 226.23
• Reaxy-Rn: 2504595
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2504595&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Benzoyl derivatives Benzaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Benzoyl - Benzaldehyde - Aryl-aldehyde - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Boil Point(°C): 182°C/1.5mmHg(lit.)
• Melt Point(°C): 78 °C
• Molecular Weight: 226.230 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 226.063 Da
• Monoisotopic Mass: 226.063 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 238.000
• 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

Frequently Asked 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 in a cool place, desiccated, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 49590-51-4, the molecular formula is C14H10O3, and the molecular weight is 226.23 g/mol. InChIKey LMJZLKFWMQOYKU-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.