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603-35-0 molecular structure
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triphenylphosphane

ChemBase ID: 92455
Molecular Formular: C18H15P
Molecular Mass: 262.285461
Monoisotopic Mass: 262.09113711
SMILES and InChIs

SMILES:
P(c1ccccc1)(c1ccccc1)c1ccccc1
Canonical SMILES:
c1ccc(cc1)P(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey:
RIOQSEWOXXDEQQ-UHFFFAOYSA-N

Cite this record

CBID:92455 http://www.chembase.cn/molecule-92455.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
triphenylphosphane
IUPAC Traditional name
triphenylphosphine
Synonyms
Triphenyl phosphine
TRIPHENYLPHOSPHINE
Trisphenylphosphine
Phosphorustriphenyl
Triphenylphosphine
TPP
Triphenylphosphine, flake
Triphenylphosphine, powder
三苯基膦
三苯膦
三苯基瞵
三苯基膦, 片状
三苯基膦, 粉末
CAS Number
603-35-0
EC Number
210-036-0
MDL Number
MFCD00003043
Beilstein Number
610776
Merck Index
149743
PubChem SID
24889789
24900530
162079153
PubChem CID
11776
Chemspider ID
11283
Wikipedia Title
Triphenylphosphine

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.1066  LogD (pH = 7.4) 5.1066 
Log P 5.1066  Molar Refractivity 81.6229 cm3
Polarizability 32.34495 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
Insoluble in water expand Show data source
Insoluble in water. Soluble in benzene, acetone, carbon tetrachloride, ether, and glacial acetic acid expand Show data source
organic solvents expand Show data source
Apperance
Flake expand Show data source
White Solid expand Show data source
Melting Point
77-84 °C expand Show data source
78°C expand Show data source
78-82°C expand Show data source
79-81 °C expand Show data source
79-81 °C(lit.) expand Show data source
79-81°C expand Show data source
80°C expand Show data source
Boiling Point
360°C expand Show data source
360°C expand Show data source
377 °C(lit.) expand Show data source
377°C expand Show data source
Flash Point
180 °C expand Show data source
181°C expand Show data source
181°C(358°F) expand Show data source
356 °F expand Show data source
Density
1.1 g cm-3, solid expand Show data source
1.194 g/ml expand Show data source
1.20 expand Show data source
1.200 expand Show data source
Refractive Index
1.59; εr, etc. expand Show data source
Vapor Pressure
5 mmHg ( 20 °C) expand Show data source
Vapor Density
9 (vs air) expand Show data source
Storage Warning
Toxic/Harmful/Irritant expand Show data source
RTECS
SZ3500000 expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
22-43-48/20/22 expand Show data source
22-43-53 expand Show data source
R:22 expand Show data source
R20 R22 R40 R43 R50 R53 expand Show data source
Safety Statements
22-24-37-45 expand Show data source
24-37-61 expand Show data source
S:36/37/39 expand Show data source
S36 S37 S45 S57 S60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H317-H373 expand Show data source
H302-H317-H413 expand Show data source
GHS Precautionary statements
P261-P280-P302+P352-P321-P301+P312-P501A expand Show data source
P280 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Target Organ
Nervous system expand Show data source
Purity
≥95.0% (GC) expand Show data source
≥98.5% (GC) expand Show data source
97% expand Show data source
98% expand Show data source
99% expand Show data source
99+% expand Show data source
Grade
puriss. expand Show data source
ReagentPlus® expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
~1% triphenylphosphine oxide expand Show data source
~3% triphenylphosphine oxide expand Show data source
Linear Formula
(C6H5)3P expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 93092 external link
Packaging
1 kg in poly bottle
250 g in poly bottle
Sigma Aldrich - T84409 external link
Packaging
1 kg in poly bottle
1, 25, 100, 500 g in poly bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • In suitable circumstances, the iminophosphorane may undergo intramolecular aza-Wittig reaction: Tetrahedron, 45, 6375 (1989):
  • • Reviews: Aza-Wittig reaction in heterocyclic synthesis: Org. Prep. Proced. Int., 24, 209 (1992); Iminophosphoranes as building blocks for the preparation of N-containing heterocycles: Synthesis, 1197 (1994).
  • • For use in the Mitsunobu reaction for conversion of alcohols to alkylating agents, see N-Guanylurea sulfate, A19106, and Diisopropyl azodicarboxylate, L10386. See also 1,2-Bis(diphenylphosphino)ethane, A11419.
  • • Finds widespread use as a complexing agent with transition metals, either in the preparation of stable complexes, or as an additive in metal-promoted reactions. See also Tri(o-tolyl)phosphine, A12093 and Tri(2-furyl)phosphine, L13329.
  • • Azides can be converted selectively to amines, in the presence of ester, epoxide or nitro groups, by reduction to iminophosphoranes (Staudinger reaction), followed by hydrolysis. For reviews, see: Tetrahedron, 37, 437 (1981); 48, 1353 (1992):
  • • For use in peptide and other coupling reactions, see 2,2'-Dipyridyl disulfide, A11118.
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PATENTS

PATENTS

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INTERNET

INTERNET

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