2,2′-Dimethoxybiphenyl - ≥97% , CAS No.4877-93-4

CAS: 4877-93-4 Cat. No.: D170565 Formula: C₁₄H₁₄O₂ Molecular Weight: 214.26

GRADE & PURITY ≥97%

Synonyms

InChI=1/C14H14O2/c1-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)16-2/h3-10H,1-2H | AC-23046 | DTXSID60346395 | 2,2'-Dimethoxy-1,1'-biphenyl # | D94695 | MFCD00067073 | SCHEMBL301996 | Biphenyl, 2,2'-dimethoxy- | 1-methoxy-2-(2-methoxyphenyl)benzene | 2,2'-Dimet

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

2,2-Dimethoxy-1,1-biphenyl is used in the synthesis of biphenyl scaffolds in the preparation of biphenyl-tetrathiafulvalene derivatives.

Specifications

Synonyms

InChI=1/C14H14O2/c1-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)16-2/h3-10H,1-2H | AC-23046 | DTXSID60346395 | 2,2'-Dimethoxy-1,1'-biphenyl # | D94695 | MFCD00067073 | SCHEMBL301996 | Biphenyl, 2,2'-dimethoxy- | 1-methoxy-2-(2-methoxyphenyl)benzene | 2,2'-Dimet

Specifications & Purity

≥97%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504759536
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759536
• Canonical Smiles: COC1=CC=CC=C1C2=CC=CC=C2OC
• IUPAC Name: 1-methoxy-2-(2-methoxyphenyl)benzene
• InChIKey: VGMKUVCDINAAFC-UHFFFAOYSA-N
• INCHI: 1S/C14H14O2/c1-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)16-2/h3-10H,1-2H3
• Isomeric SMILES: COC1=CC=CC=C1C2=CC=CC=C2OC
• Molecular Weight: 214.26
• Reaxy-Rn: 2051625
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2051625&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 Anisoles Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen 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

• Solubility: Soluble in chloroform, methanol.
• Melt Point(°C): 151-160°C
• Molecular Weight: 214.260 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 214.099 Da
• Monoisotopic Mass: 214.099 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 183.000
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature 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 4877-93-4, the molecular formula is C14H14O2, and the molecular weight is 214.26 g/mol. InChIKey VGMKUVCDINAAFC-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.