Methyl diphenyl phosphine oxide - ≥98%(GC) , CAS No.2129-89-7

CAS: 2129-89-7 Cat. No.: M137520 Molecular Weight: 216.22 EC Number: 218-346-8

GRADE & PURITY ≥98%(GC)

Synonyms

AC9240 | SCHEMBL115791 | SR-01000026175 | 2-16-00-00378 (Beilstein Handbook Reference) | A815254 | MFCD00002081 | CH3(C6H5)2PO | methyl(diphenyl)phosphine oxide | Methyldiphenylphosphine oxide, 98% | SY049475 | Methyldiphenylphosphine oxide | NSC 59731 |

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

AC9240 | SCHEMBL115791 | SR-01000026175 | 2-16-00-00378 (Beilstein Handbook Reference) | A815254 | MFCD00002081 | CH3(C6H5)2PO | methyl(diphenyl)phosphine oxide | Methyldiphenylphosphine oxide, 98% | SY049475 | Methyldiphenylphosphine oxide | NSC 59731 |

Specifications & Purity

≥98%(GC)

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488185019
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185019
• Canonical Smiles: CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2
• IUPAC Name: [methyl(phenyl)phosphoryl]benzene
• InChIKey: PEGCITODQASXKH-UHFFFAOYSA-N
• INCHI: 1S/C13H13OP/c1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
• Isomeric SMILES: CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2
• WGK Germany: 3
• RTECS: SZ0199480
• Molecular Weight: 216.22
• Reaxy-Rn: 957291
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=957291&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylphosphine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl 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

• Solubility: Solubility in Methanol almost transparency
• Boil Point(°C): 180°C/1mmHg
• Melt Point(°C): 111-115°C
• Molecular Weight: 216.210 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 216.07 Da
• Monoisotopic Mass: 216.07 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 215.000
• 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

References

1. Zhengyan He, Shufang Zhang, Yanqiang Hu, Quanming Geng, Wenkai Zhao, Dehua Wang, Qian Tao, Qinfeng Xu, Mengmeng Jiao.  (2022)  Synergistic enhancement of efficiency and stability of perovskite solar cells via dual interface modification.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2022.155745]

2. Yingyue Cui, Yanlei Wang, Shijie Gu, Cheng Qian, Tianhua Chen, Shimou Chen, Jianling Zhao, Suojiang Zhang.  (2020)  An effective interface-regulating mechanism enabled by non-sacrificial additives for high-voltage nickel-rich cathode.  JOURNAL OF POWER SOURCES,      [PMID:] [10.1016/j.jpowsour.2020.227852]