Bis(2,4-dichlorophenyl) chlorophosphate - ≥80% , CAS No.14254-41-2

CAS: 14254-41-2 Cat. No.: B138215 Peso molecular: 406.41 Número EC: 627-178-8

GRADE & PURITY ≥80%

Synonyms

C12H6Cl5O3P | RHQSBXZVIMBYKW-UHFFFAOYSA-N | J-007664 | 2,4-dichloro-1-[chloro-(2,4-dichlorophenoxy)phosphoryl]oxybenzene | MFCD00674034 | Bis(2,4-dichlorophenyl) chlorophosphate | InChI=1/C12H6Cl5O3P/c13-7-1-3-11(9(15)5-7)19-21(17,18)20-12-4-2-8(14)6-10(1

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

C12H6Cl5O3P | RHQSBXZVIMBYKW-UHFFFAOYSA-N | J-007664 | 2, 4-dichloro-1-[chloro-(2, 4-dichlorophenoxy)phosphoryl]oxybenzene | MFCD00674034 | Bis(2, 4-dichlorophenyl) chlorophosphate | InChI=1/C12H6Cl5O3P/c13-7-1-3-11(9(15)5-7)19-21(17, 18)20-12-4-2-8(14)6-10(1

Especificaciones y pureza

≥80%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥80%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C=C1Cl)Cl)OP(=O)(OC2=C(C=C(C=C2)Cl)Cl)Cl
• IUPAC Name: 2,4-dichloro-1-[chloro-(2,4-dichlorophenoxy)phosphoryl]oxybenzene
• InChIKey: RHQSBXZVIMBYKW-UHFFFAOYSA-N
• INCHI: 1S/C12H6Cl5O3P/c13-7-1-3-11(9(15)5-7)19-21(17,18)20-12-4-2-8(14)6-10(12)16/h1-6H
• Isómeros SMILES: C1=CC(=C(C=C1Cl)Cl)OP(=O)(OC2=C(C=C(C=C2)Cl)Cl)Cl
• WGK Alemania: 3
• Peso molecular: 406.41
• Reaxy-Rn: 4204354
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4204354&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Phenoxy compounds Phosphate esters Aryl chlorides Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - 1,3-dichlorobenzene - Phosphoric acid ester - Organic phosphoric acid derivative - Aryl halide - Aryl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

• Peso molecular: 406.400 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 405.847 Da
• Monoisotopic Mass: 403.85 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 367.000
• 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