Diethyl (4-Methoxybenzyl)phosphonate - ≥95%(GC) , CAS No.1145-93-3

CAS: 1145-93-3 Cat. No.: D155192 Peso molecular: 258.25

GRADE & PURITY ≥95%(GC)

Synonyms

4-(Diethylphosphonomethyl)anisole | Diethyl 4-methoxybenzylphosphonate, >=98% | FT-0618929 | 1-(diethoxyphosphorylmethyl)-4-methoxybenzene | 1-(diethoxyphosphorylmethyl)-4-methoxy-benzene | Phosphonic acid,p-[(4-methoxyphenyl)methyl]-,diethyl ester | D400

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-(Diethylphosphonomethyl)anisole | Diethyl 4-methoxybenzylphosphonate, >=98% | FT-0618929 | 1-(diethoxyphosphorylmethyl)-4-methoxybenzene | 1-(diethoxyphosphorylmethyl)-4-methoxy-benzene | Phosphonic acid, p-[(4-methoxyphenyl)methyl]-, diethyl ester | D400

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%(GC)

Nombres e identificadores

• Pubchem Sid: 488194664
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194664
• Sonrisas canónicas: CCOP(=O)(CC1=CC=C(C=C1)OC)OCC
• IUPAC Name: 1-(diethoxyphosphorylmethyl)-4-methoxybenzene
• InChIKey: NKARVHNAACNYGE-UHFFFAOYSA-N
• INCHI: 1S/C12H19O4P/c1-4-15-17(13,16-5-2)10-11-6-8-12(14-3)9-7-11/h6-9H,4-5,10H2,1-3H3
• Isómeros SMILES: CCOP(=O)(CC1=CC=C(C=C1)OC)OCC
• WGK Alemania: 3
• Peso molecular: 258.25
• Reaxy-Rn: 2125148
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2125148&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Dialkyl alkylphosphonates Alkyl aryl ethers Phosphonic acid esters Organophosphorus compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Dialkyl alkylphosphonate - Phosphonic acid diester - Monocyclic benzene moiety - Phosphonic acid ester - Organophosphonic acid derivative - Ether - Organophosphorus compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Not miscible in water.
• Índice de refracción: 1.5
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): 110 °C
• Punto de ebullición (°C): 151°C/0.1mmHg(lit.)
• Peso molecular: 258.250 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 258.102 Da
• Monoisotopic Mass: 258.102 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 239.000
• 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