(S)-(−)-5,5′-Dichloro-2,2′-bis(diphenylphosphino)-6,6′-di methoxy-1,1′-biphenyl - ≥97% , CAS No.185913-98-8

CAS: 185913-98-8 Cat. No.: S281965 Peso molecular: 651.5 Número EC: 811-310-8 PubChem CID: 5165044

GRADE & PURITY ≥97%

Synonyms

(R)-(+)-5,5'-Dichloro-2,2'-bis(diphenylphosphino)-6,6'-dimethoxy-1,1'-biphenyl | (R)-(-)-Cl-MeO-BIPHEP | (-)-2,2'-Bis(diphenylphosphino)-5,5'-dichloro-6,6'-dimethoxy-1,1'-biphenyl | (S)-(-)-Cl-MeO-BIPHEP | GCBRCSSVOVNEIX-UHFFFAOYSA-N | (R)-(+)-5,5'-Dichlo

Storage

Room temperature

Specifications

Sinónimos

(R)-(+)-5, 5'-Dichloro-2, 2'-bis(diphenylphosphino)-6, 6'-dimethoxy-1, 1'-biphenyl | (R)-(-)-Cl-MeO-BIPHEP | (-)-2, 2'-Bis(diphenylphosphino)-5, 5'-dichloro-6, 6'-dimethoxy-1, 1'-biphenyl | (S)-(-)-Cl-MeO-BIPHEP | GCBRCSSVOVNEIX-UHFFFAOYSA-N | (R)-(+)-5, 5'-Dichlo

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: COC1=C(C=CC(=C1C2=C(C=CC(=C2OC)Cl)P(C3=CC=CC=C3)C4=CC=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6)Cl
• IUPAC Name: [4-chloro-2-(3-chloro-6-diphenylphosphanyl-2-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane
• InChIKey: GCBRCSSVOVNEIX-UHFFFAOYSA-N
• INCHI: 1S/C38H30Cl2O2P2/c1-41-37-31(39)23-25-33(43(27-15-7-3-8-16-27)28-17-9-4-10-18-28)35(37)36-34(26-24-32(40)38(36)42-2)44(29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-26H,1-2H3
• Isómeros SMILES: COC1=C(C=CC(=C1C2=C(C=CC(=C2OC)Cl)P(C3=CC=CC=C3)C4=CC=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6)Cl
• WGK Alemania: 3
• PubChem CID: 5165044
• Peso molecular: 651.5

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Polychlorinated biphenyls Phenoxy compounds Methoxybenzenes Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Organic phosphines and derivatives Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Polychlorinated biphenyl - Chlorinated biphenyl - Biphenyl - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Halobenzene - Chlorobenzene - Alkyl aryl ether - Phenylphosphine - Aryl halide - Aryl chloride - Phosphine - Ether - Organopnictogen compound - Organophosphorus compound - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl 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

• Peso molecular: 651.500 g/mol
• XLogP3: 10.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 650.11 Da
• Monoisotopic Mass: 650.11 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 735.000
• 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