4,6-Bis(diphenylphosphino)phenoxazine - ≥98% , CAS No.261733-18-0

CAS: 261733-18-0 Cat. No.: B115377 Molecular Weight: 551.55 EC Number: 812-116-6

GRADE & PURITY ≥98%

Synonyms

4,6-BIS(DIPHENYLPHOSPHINO)-10H-PHENOXAZINE;4,6-BIS(DIPHENYLPHOSPHINO)PHENOXAZINE;NIXANTPHOS | Bis(diphenylphosphino)phenoxazine | HSWZLYXRAOXOLL-UHFFFAOYSA-N | SC11333 | AKOS015840598 | 4,6-bis(diphenylphosphino)-10H-phenoxazine;4,6-Bis(diphenylphosphino)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

4,6-Bis(diphenylphosphino)phenoxazine used as an intermediate in the manufacture of pharmaceuticals, agrochemicals, dyestuffs, fine chemicals, medical and material synthesis.

Specifications

Synonyms

4, 6-BIS(DIPHENYLPHOSPHINO)-10H-PHENOXAZINE;4, 6-BIS(DIPHENYLPHOSPHINO)PHENOXAZINE;NIXANTPHOS | Bis(diphenylphosphino)phenoxazine | HSWZLYXRAOXOLL-UHFFFAOYSA-N | SC11333 | AKOS015840598 | 4, 6-bis(diphenylphosphino)-10H-phenoxazine;4, 6-Bis(diphenylphosphino)

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC4=C3OC5=C(N4)C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7
• IUPAC Name: (6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane
• InChIKey: HSWZLYXRAOXOLL-UHFFFAOYSA-N
• INCHI: 1S/C36H27NOP2/c1-5-15-27(16-6-1)39(28-17-7-2-8-18-28)33-25-13-23-31-35(33)38-36-32(37-31)24-14-26-34(36)40(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-26,37H
• Isomeric SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC4=C3OC5=C(N4)C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7
• WGK Germany: 3
• Molecular Weight: 551.55
• Reaxy-Rn: 9021230
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9021230&ln=

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: Phenoxazines Diarylethers Organic phosphines and derivatives Secondary amines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triphenylphosphine - Phenoxazine - Diaryl ether - Phenylphosphine - Phosphine - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Oxacycle - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic 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: Miscible with water.
• Sensitivity: Air & Heat sensitive
• Melt Point(°C): 256-262°C
• Molecular Weight: 551.600 g/mol
• XLogP3: 8.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 551.157 Da
• Monoisotopic Mass: 551.157 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 671.000
• 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