Tris(4-chlorophenyl)phosphine - CAS 1159-54-2
Catalog: |
BB003657 |
Product Name: |
Tris(4-chlorophenyl)phosphine |
CAS: |
1159-54-2 |
Synonyms: |
tris(4-chlorophenyl)phosphine; tris(4-chlorophenyl)phosphane |
IUPAC Name: | tris(4-chlorophenyl)phosphane |
Description: | Catalyst for: Preparation of chromans and (E,E)-1,3-dienes via reaction of γ-substituted allenoates with aldehydes; Solvent-free Heck reactions. Cocatalyst in: Regioselective carbomagnesiation of terminal alkynes and enynes with alkyl Grignard reagents; Rhodium-catalyzed coordination-assisted regioselective alkenylation of aromatic C-H bonds with terminal silylacetylenes; Rhodium-catalyzed hydrogenation reactions; Platinum-catalyzed allylation reactions. |
Molecular Weight: | 365.62 |
Molecular Formula: | C18H12Cl3P |
Canonical SMILES: | C1=CC(=CC=C1P(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)Cl |
InChI: | InChI=1S/C18H12Cl3P/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H |
InChI Key: | IQKSLJOIKWOGIZ-UHFFFAOYSA-N |
Boiling Point: | 427.6 °C at 760 mmHg |
Melting Point: | 100-103 °C (lit.) |
Flash Point: | Not applicable |
Purity: | 95 % |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD00013639 |
LogP: | 5.40500 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22969506 | 20120901 | cis-Dichloridobis[tris-(4-chloro-phen-yl)phosphane-κP]platinum(II) acetonitrile monosolvate | Acta crystallographica. Section E, Structure reports online |
22589861 | 20120401 | (Acetyl-acetonato-κ(2)O,O')carbon-yl[tris-(4-chloro-phen-yl)phosphane-κP]rhodium(I) | Acta crystallographica. Section E, Structure reports online |
21522902 | 20110122 | Dinitro-sylbis[tris-(4-chloro-phen-yl)phosphane]iron | Acta crystallographica. Section E, Structure reports online |
21579981 | 20091224 | Bis{[μ-bis-(diphenyl-arsino)methane-1:2κAs:As']nona-carbonyl-1κC,2κC,3κC-[tris-(4-chloro-phen-yl)phosphine-3κP]-triangulo-triruthenium(0)} chloro-form monosolvate | Acta crystallographica. Section E, Structure reports online |
21578601 | 20091114 | trans-Dibromidobis[tris-(4-chloro-phen-yl)phosphine]palladium(II) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 363.974220 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 363.974220 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.5 |
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