(S)-(-)-DM-SEGPHOS® - ≥98% , CAS No.210169-57-6

CAS: 210169-57-6 Cat. No.: S161391 Peso molecular: 722.8 Número EC: 813-047-4

GRADE & PURITY ≥98%

Synonyms

(R)-(+)-5,5'-Bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole,min.98%(R)-DM-SEGPHOS | (R)-5,5'-Bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole | XJJVPYMFHXMROQ-UHFFFAOYSA-N | D4498 | (R)-5,5 inverted exclamation mark -Bis[di(3,5-xylyl)phosphino]-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

(R)-(+)-5, 5'-Bis[di(3, 5-xylyl)phosphino]-4, 4'-bi-1, 3-benzodioxole, min.98%(R)-DM-SEGPHOS | (R)-5, 5'-Bis[di(3, 5-xylyl)phosphino]-4, 4'-bi-1, 3-benzodioxole | XJJVPYMFHXMROQ-UHFFFAOYSA-N | D4498 | (R)-5, 5 inverted exclamation mark -Bis[di(3, 5-xylyl)phosphino]-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488197373
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197373
• Sonrisas canónicas: CC1=CC(=CC(=C1)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C
• IUPAC Name: [4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane
• InChIKey: XJJVPYMFHXMROQ-UHFFFAOYSA-N
• INCHI: 1S/C46H44O4P2/c1-27-13-28(2)18-35(17-27)51(36-19-29(3)14-30(4)20-36)41-11-9-39-45(49-25-47-39)43(41)44-42(12-10-40-46(44)50-26-48-40)52(37-21-31(5)15-32(6)22-37)38-23-33(7)16-34(8)24-38/h9-24H,25-26H2,1-8H3
• Isómeros SMILES: CC1=CC(=CC(=C1)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C
• WGK Alemania: 3
• Peso molecular: 722.8
• Reaxy-Rn: 8889401
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8889401&ln=

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: Benzodioxoles m-Xylenes Organic phosphines and derivatives Oxacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triphenylphosphine - Benzodioxole - M-xylene - Xylene - Phenylphosphine - Phosphine - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aromatic heteropolycyclic 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

• Sensibilidad: light & air & Moisture sensitive
• Rotación específica [α]: -61° (C=0.1,CHCl3)
• Punto de fusión (°C): 256-261 °C
• Peso molecular: 722.800 g/mol
• XLogP3: 11.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 722.271 Da
• Monoisotopic Mass: 722.271 Da
• Topological Polar Surface Area: 36.900 Ų
• Heavy Atom Count: 52
• Formal Charge: 0
• Complexity: 989.000
• 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