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

CAS: 210169-57-6 Cat. No.: S161391 Fórmula: C₄₆H₄₄O₄P₂ 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 210169-57-6, the molecular formula is C46H44O4P2, and the molecular weight is 722.8 g/mol. InChIKey XJJVPYMFHXMROQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.