Bis(4-methoxyphenyl)phosphine - ≥95% , CAS No.84127-04-8

CAS: 84127-04-8 Cat. No.: B304750 Molecular Weight: 246.25 EC Number: 686-979-0

GRADE & PURITY ≥95%

Synonyms

BCP22565 | DTXSID90463443 | A864176 | SCHEMBL246794 | FWKICRREDMVWRF-UHFFFAOYSA-N | MFCD15143653 | Bis-(4-methoxyphenyl)phosphine | Bis(4-methoxyphenyl)phosphine | DS-2519 | AKOS016006207 | di-(4-methoxyphenyl)-phosphine | Bis(4-methoxyphenyl)phosphane

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

BCP22565 | DTXSID90463443 | A864176 | SCHEMBL246794 | FWKICRREDMVWRF-UHFFFAOYSA-N | MFCD15143653 | Bis-(4-methoxyphenyl)phosphine | Bis(4-methoxyphenyl)phosphine | DS-2519 | AKOS016006207 | di-(4-methoxyphenyl)-phosphine | Bis(4-methoxyphenyl)phosphane

Specifications & Purity

≥95%

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: COC1=CC=C(C=C1)PC2=CC=C(C=C2)OC
• IUPAC Name: bis(4-methoxyphenyl)phosphane
• InChIKey: FWKICRREDMVWRF-UHFFFAOYSA-N
• INCHI: 1S/C14H15O2P/c1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14/h3-10,17H,1-2H3
• Isomeric SMILES: COC1=CC=C(C=C1)PC2=CC=C(C=C2)OC
• Molecular Weight: 246.25
• Reaxy-Rn: 2940467
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2940467&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Organophosphorus compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

• Flash Point(°C): > 110 °C - clos
• Melt Point(°C): 36-40 °C
• Molecular Weight: 246.240 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 246.081 Da
• Monoisotopic Mass: 246.081 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 184.000
• 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