(S)-2,2'-Bis[bis(3,5-trifluoromethylphenyl)phosphino]-4,4',6,6'-tetramethoxybiphenyl - ≥97% , CAS No.1365531-85-6

CAS: 1365531-85-6 Cat. No.: S282040 Molecular Weight: 1186.64 EC Number: 817-874-1 PubChem CID: 87111592

GRADE & PURITY ≥97%

Synonyms

(R)-2,2'-Bis[bis(3,5-trifluoromethylphenyl)phosphino]-4,4',6,6'-tetramethoxybiphenyl | SCHEMBL462590 | D72417 | JDKXXRZDVSJSNQ-UHFFFAOYSA-N | 1,1'-[(1S)-4,4',6,6'-Tetramethoxy[1,1'-biphenyl]-2,2'-diyl]bis[1,1-bis[3,5-bis(trifluoromethyl)phenyl]phosphine |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

(R)-2, 2'-Bis[bis(3, 5-trifluoromethylphenyl)phosphino]-4, 4', 6, 6'-tetramethoxybiphenyl | SCHEMBL462590 | D72417 | JDKXXRZDVSJSNQ-UHFFFAOYSA-N | 1, 1'-[(1S)-4, 4', 6, 6'-Tetramethoxy[1, 1'-biphenyl]-2, 2'-diyl]bis[1, 1-bis[3, 5-bis(trifluoromethyl)phenyl]phosphine |

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC1=CC(=C(C(=C1)P(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=C(C=C(C=C4P(C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)OC)OC)OC
• IUPAC Name: [2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane
• InChIKey: JDKXXRZDVSJSNQ-UHFFFAOYSA-N
• INCHI: 1S/C48H28F24O4P2/c1-73-29-17-35(75-3)39(37(19-29)77(31-9-21(41(49,50)51)5-22(10-31)42(52,53)54)32-11-23(43(55,56)57)6-24(12-32)44(58,59)60)40-36(76-4)18-30(74-2)20-38(40)78(33-13-25(45(61,62)63)7-26(14-33)46(64,65)66)34-15-27(47(67,68)69)8-28(16-34)48(70,71)72/h5-20H,1-4H3
• Isomeric SMILES: COC1=CC(=C(C(=C1)P(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=C(C=C(C=C4P(C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)OC)OC)OC
• PubChem CID: 87111592
• Molecular Weight: 1186.64

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: Biphenyls and derivatives Trifluoromethylbenzenes Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Organic phosphines and derivatives Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Biphenyl - Dimethoxybenzene - M-dimethoxybenzene - Trifluoromethylbenzene - Methoxybenzene - Anisole - Phenol ether - Phenoxy compound - Alkyl aryl ether - Phenylphosphine - Phosphine - Ether - Organofluoride - Alkyl halide - Organohalogen compound - Organophosphorus compound - Organic oxygen compound - Alkyl fluoride - Hydrocarbon derivative - Organooxygen 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

• Solubility: Insoluble in water
• Sensitivity: air sensitive
• Molecular Weight: 1186.600 g/mol
• XLogP3: 15.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 28
• Rotatable Bond Count: 11
• Exact Mass: 1186.11 Da
• Monoisotopic Mass: 1186.11 Da
• Topological Polar Surface Area: 36.900 Ų
• Heavy Atom Count: 78
• Formal Charge: 0
• Complexity: 1600.000
• 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