4,6-Bis(diphenylphosphino)-10H-phenoxazine
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Basic information
- CAS
261733-18-0- Standard SMILES
c1ccc(P(c2ccccc2)c2cccc3c2Oc2c(cccc2P(c2ccccc2)c2ccccc2)N3)cc1- InChIKey
HSWZLYXRAOXOLL-UHFFFAOYSA-N- Molecular formula
- C36H27NOP2
- Average molar mass
- 551.6 g/mol
- Monoisotopic mass
- 551.15678848
Names & identifiers
- Preferred name
- 4,6-Bis(diphenylphosphino)-10H-phenoxazine
- IUPAC
- (6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane
- English name
- 4,6-BIS(DIPHENYLPHOSPHINO)PHENOXAZINE
- Molecular formula
- C36H27NOP2
- Molecular weight
- 551.55
Names & synonyms
4,6-Bis(diphenylphosphino)-10H-phenoxazineRefChem:507908812-116-6261733-18-04,6-Bis(diphenylphosphino)phenoxazineNIXANTPHOSN-XantPhos10H-Phenoxazine, 4,6-bis(diphenylphosphino)-MFCD037889374,6-bis(diphenylphosphanyl)-10H-phenoxazine(6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphaneBis(diphenylphosphino)phenoxazine
Show more names
N-XantPhos 97%98% NixantPhosCAS:261733-18-04,6-Bis(diphenyLphosphino)phenoxazinephosphino)phenoxazine NIXANTPHOS
(6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenyl-phosphaneAKOS015840598CS-W009604C36H27NOP2NiXanthphos4,6-Bis(dipheN-XantPhos, 97%orb2940469
Database identifiers
- CAS
261733-18-0- PubChem CID
- 3255346
- DTXSID
DTXSID70390703- EC Number
- 812-116-6
- Nikkaji
- J1.229.013F
Properties
Computed structural propertiesFilling in
- XLogP
- 8.4
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 671
Physicochemical properties
- Melting point
- 256 · 256-262 °C
- Boiling point
- 662.1 · 662.1±55.0 °C(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 1.34 · 1.34±0.20(Predicted)
- form
- Powder
- color
- white to off-white
- Water Solubility
- Miscible with water.
- 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
- InChIKey
- HSWZLYXRAOXOLL-UHFFFAOYSA-N
- SMILES
- C1=C2C(OC3=C(N2)C=CC=C3P(C2=CC=CC=C2)C2=CC=CC=C2)=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=C1
- CAS DataBase Reference
- 261733 · 261733-18-0
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338-P304+P340-P405-P501A
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- TSCA
- No
- HS Code
- 2934.99 · 2934.99.4400
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- tsca
- No
- hs_code
- 2934.99.4400
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280-P305+P351+P338-P304+P340-P405-P501A
Chemistry & industry
Applications
Uses4,6-Bis(diphenylphosphino)phenoxazine used as an intermediate in the manufacture of pharmaceuticals, agrochemicals, dyestuffs, fine chemicals, medical and material synthesis.
UsesN-XantPhos is a deprotonatable chelating aryldiphosphine ligand that can be used in:The preparation of Pd-NiXantphos catalyst system for the room temperature cross-coupling reactions of unactivated aryl chlorides.The synthesis of cinchonine iridium(III) cyclometalated complex that exhibits luminescence and good quantum efficiency.N-XantPhos and N-modified counterparts are also used in the preparation of rhodium based catalysts for hydroformylation reaction.
Uses4,6-Bis(Diphenylphosphino)phenoxazine is used as a palladium catalyst in reactions involving the synthesis of triarylmethanes.
Related reactions
6 records
Compound notes
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