(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 Molecular Weight: 651.5 EC Number: 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

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

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

• Canonical 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
• 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
• Isomeric 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 Germany: 3
• PubChem CID: 5165044
• Molecular Weight: 651.5

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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