Dimethyl Phenylphosphonate - ≥98%(GC) , CAS No.2240-41-7

CAS: 2240-41-7 Cat. No.: D155820 Peso molecular: 186.15

GRADE & PURITY ≥98%(GC)

Synonyms

A878543 | FT-0731949 | SY054526 | Dimethyl benzenephosphonate | AKOS006230179 | BP-21368 | BRN 0639039 | doi:10.14272/OXDOANYFRLHSML-UHFFFAOYSA-N.1 | SCHEMBL499887 | beta-Sulfoalanine | Phosphonic acid, phenyl-, O,O-dimethyl ester | 10.14272/OXDOANYFRLHSM

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

A878543 | FT-0731949 | SY054526 | Dimethyl benzenephosphonate | AKOS006230179 | BP-21368 | BRN 0639039 | doi:10.14272/OXDOANYFRLHSML-UHFFFAOYSA-N.1 | SCHEMBL499887 | beta-Sulfoalanine | Phosphonic acid, phenyl-, O, O-dimethyl ester | 10.14272/OXDOANYFRLHSM

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488185063
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185063
• Sonrisas canónicas: COP(=O)(C1=CC=CC=C1)OC
• IUPAC Name: dimethoxyphosphorylbenzene
• InChIKey: OXDOANYFRLHSML-UHFFFAOYSA-N
• INCHI: 1S/C8H11O3P/c1-10-12(9,11-2)8-6-4-3-5-7-8/h3-7H,1-2H3
• Isómeros SMILES: COP(=O)(C1=CC=CC=C1)OC
• RTECS: TA0378000
• Peso molecular: 186.15
• Reaxy-Rn: 639039
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=639039&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic phosphonic acids and derivatives
      • Subclass Phosphonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic phosphonic acids and derivatives
• Subclass: Phosphonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Phosphonic acid diesters
• Alternative Parents: Phosphonic acid esters Benzene and substituted derivatives Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phosphonic acid diester - Benzenoid - Phosphonic acid ester - Monocyclic benzene moiety - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phosphonic acid diesters. These are organophosphorus compounds containing a diester derivative of phosphonic acid, with the general structure ROP(=O)OR' (R,R' = organyl 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

Propiedades químicas y físicas

• Índice de refracción: 1.51
• Punto de inflamación (°F): 154°C(lit.)
• Punto de inflamación (°C): 154°C(lit.)
• Punto de ebullición (°C): 247°C(lit.)
• Peso molecular: 186.140 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 186.045 Da
• Monoisotopic Mass: 186.045 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 167.000
• 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

Referencias

1. Lang Xiao, Mingzhu Ye, Yirui Fan, Guangyu Liu, Huixia He, Jianxi Xiao.  (2025)  Dual-Cross-linked Methylacrylated Collagen-DPPA Bioinks for Precision DLP Bioprinting and Accelerated Skin Wound Healing.  BIOMACROMOLECULES,      [PMID:40542740] [10.1021/acs.biomac.5c00305]