α-Chlorobenzylphosphonic Acid Diphenyl Ester - ≥98% , CAS No.58263-67-5

CAS: 58263-67-5 Cat. No.: D155183 Peso molecular: 358.76 Beilstein Registry Number: 7(4)554 Número EC: 679-853-1

GRADE & PURITY ≥98%

Synonyms

Diphenyl alpha-Chlorobenzylphosphonate | D3824 | MFCD00159438 | T71093 | [chloro(diphenoxyphosphoryl)methyl]benzene | DTXSID70298871 | diphenyl chloro(phenyl)methylphosphonate | NSC126664 | NSC-126664 | SCHEMBL1473410 | alpha-Chlorobenzylphosphonic Acid D

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Diphenyl alpha-Chlorobenzylphosphonate | D3824 | MFCD00159438 | T71093 | [chloro(diphenoxyphosphoryl)methyl]benzene | DTXSID70298871 | diphenyl chloro(phenyl)methylphosphonate | NSC126664 | NSC-126664 | SCHEMBL1473410 | alpha-Chlorobenzylphosphonic Acid D

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)C(P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)Cl
• IUPAC Name: [chloro(diphenoxyphosphoryl)methyl]benzene
• InChIKey: LTRZPFCYQMGZGD-UHFFFAOYSA-N
• INCHI: 1S/C19H16ClO3P/c20-19(16-10-4-1-5-11-16)24(21,22-17-12-6-2-7-13-17)23-18-14-8-3-9-15-18/h1-15,19H
• Isómeros SMILES: C1=CC=C(C=C1)C(P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)Cl
• Peso molecular: 358.76
• Beilstein: 7(4)554
• Reaxy-Rn: 3407560
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3407560&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenoxy compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenoxy compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxy compounds
• Alternative Parents: Phosphonic acid diesters Phosphonic acid esters Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phosphonic acid diester - Phosphonic acid ester - Organophosphonic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy 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

• Punto de ebullición (°C): 210°C/2mmHg(lit.)
• Peso molecular: 358.800 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 358.053 Da
• Monoisotopic Mass: 358.053 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 389.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1