3,4-Dichloro-N-[(diphenylphosphoryl)(fur-2-yl)methyl]aniline - ≥95% , CAS No.680212-11-7

CAS: 680212-11-7 Cat. No.: D334703 Peso molecular: 442.3 PubChem CID: 2779472

GRADE & PURITY ≥95%

Synonyms

DTXSID70381454 | AG-G-59009 | N1-[(DIPHENYLPHOSPHORYL)(2-FURYL)METHYL]-3,4-DICHLOROANILINE | AKOS027430483 | (((3,4-Dichlorophenyl)amino)(furan-2-yl)methyl)diphenylphosphine oxide | 3,4-dichloro-N-[diphenylphosphoryl(furan-2-yl)methyl]aniline | N1-[(Diphe

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID70381454 | AG-G-59009 | N1-[(DIPHENYLPHOSPHORYL)(2-FURYL)METHYL]-3, 4-DICHLOROANILINE | AKOS027430483 | (((3, 4-Dichlorophenyl)amino)(furan-2-yl)methyl)diphenylphosphine oxide | 3, 4-dichloro-N-[diphenylphosphoryl(furan-2-yl)methyl]aniline | N1-[(Diphe

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488193834
• Sonrisas canónicas: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C(C3=CC=CO3)NC4=CC(=C(C=C4)Cl)Cl
• IUPAC Name: 3,4-dichloro-N-[diphenylphosphoryl(furan-2-yl)methyl]aniline
• InChIKey: BFMUGRSKTCDICJ-UHFFFAOYSA-N
• INCHI: 1S/C23H18Cl2NO2P/c24-20-14-13-17(16-21(20)25)26-23(22-12-7-15-28-22)29(27,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-16,23,26H
• Isómeros SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C(C3=CC=CO3)NC4=CC(=C(C=C4)Cl)Cl
• PubChem CID: 2779472
• Peso molecular: 442.3

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: Phenylalkylamines Secondary alkylarylamines Phenylphosphines and derivatives Aryl chlorides Heteroaromatic compounds Furans Oxacyclic compounds Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,2-dichlorobenzene - Phenylalkylamine - Phenylphosphine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Furan - Heteroaromatic compound - Organoheterocyclic compound - Secondary amine - Oxacycle - Hydrocarbon derivative - Organic oxide - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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: 442.300 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 441.045 Da
• Monoisotopic Mass: 441.045 Da
• Topological Polar Surface Area: 42.200 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 543.000
• 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