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

CAS: 1145-93-3 Cat. No.: D155192 Formula: C₁₂H₁₉O₄P Peso molecolare: 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

Sinonimi

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

Specifiche e purezza

≥95%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%(GC)

Nomi e identificatori

Pubchem Sid

488194664

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194664

Sorrisi canonici

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

Isomeri SMILES

CCOP(=O)(CC1=CC=C(C=C1)OC)OCC

WGK Germania

3

Peso molecolare

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
    • Classe Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Not miscible in water.
• Indice di rifrazione: 1.5
• Punto di infiammabilità (°F): 230 °F
• Punto di infiammabilità (°C): 110 °C
• Punto di ebollizione (°C): 151°C/0.1mmHg(lit.)
• Peso molecolare: 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