Basic information
- CAS
5074-71-5- Standard SMILES
Fc1c(F)c(F)c(P(c2ccccc2)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F- InChIKey
OYNXPGGNQMSMTR-UHFFFAOYSA-N- Molecular formula
- C18H5F10P
- Average molar mass
- 442.2 g/mol
- Monoisotopic mass
- 441.99691878
Overview
structure given in first source
Names & identifiers
- Preferred name
- Bis(2,3,4,5,6-pentafluorophenyl)phenylphosphine
- IUPAC
- bis(2,3,4,5,6-pentafluorophenyl)-phenylphosphane
- English name
- Bis(pentafluorophenyl)phenylphosphine
- Molecular formula
- C18H5F10P
- Molecular weight
- 442.19
Names & synonyms
Bis(pentafluorophenyl)phenylphosphine5074-71-5DecafluorotriphenylphosphineDFTPPDTXSID90198783RefChem:569227DTXCID50121274Bis(2,3,4,5,6-pentafluorophenyl)phenylphosphine225-780-1Bis(perfluorophenyl)(phenyl)phosphinebis(2,3,4,5,6-pentafluorophenyl)-phenylphosphaneSpectraSynQ 443
Show more names
Bis(pentafLMASSMARK 443ULTRAMARK 443dftpp solutionDFTPP, 100MG, NEAT* Ultramark (TM) 443DFTPP@50 μg/mL in Acetone
MFCD00000291Bis(pentafluorophenyl) phenyl phosphitePhosphine, bis(pentafluorophenyl)phenyl-T70977Decafluorotriphenylphosphine SolutionDecafluorotriphenylphosphine (DFTPP) SV Tuning 2500 microg/mL in AcetoneC18H5F10PDecafluorotriphenylphosphine (DFTPP) SV Tuning 1000 microg/mL in Acetone
Database identifiers
- CAS
5074-71-5- PubChem CID
- 78757
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 479
Experimental & physicochemical properties
PolymersOther Classes -> Halogenated Polyaromatics
Physical DescriptionWhite powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 55 · 55-60 °C (lit.)
- Boiling point
- 105 °C/0.3mm · 105°C/0.3mm
- Flash point
- 230 °F · >230 °F
- storage temp.
- room temp
- solubility
- Soluble in chloroform, dichloromethane, tetrahydrofuran, benzene, toluene, ethanol, methanol, and supercritical carbon dioxide.
- form
- Powder
- color
- white
- Sensitive
- air sensitive
- BRN
- 6253897 · 6253897
- Major Application
- environmental
- InChI
- 1S/C18H5F10P/c19-7-9(21)13(25)17(14(26)10(7)22)29(6-4-2-1-3-5-6)18-15(27)11(23)8(20)12(24)16(18)28/h1-5H
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
This chemical does not meet GHS hazard criteria for 6.4% (3 of 47) of reports.
Warning
H315 (93.6%): 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 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Triphenylphosphine. See 1,2,3,4-Tetrachlorobenzene.
Hazard Classes and CategoriesSkin Irrit. 2 (93.6%)
Safety data
- wgk
- 3
- tsca
- No
- ridadr
- UN 1593 6.1/PG 3
- hs_code
- 29310099
- risk_code
- 36/37/38-20/21/22-40-63-43-23/24/25-45-67-66-36/38-11-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn,T,F
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-22-36/37-24/25-23-53-16-9
- Storage Class
- 3 - Flammable liquids
- target organs
Chemistry & industry
Applications
UsesBis(pentafluorophenyl)phenylphosphine is used as a ligand involved in the palladium-catalyzed Heck reaction of iodobenzene and styrene in compressed carbon dioxide. It is also used in the polymerization of 1,3-butadiene with Co(2-ethyl hexanoate)2.
General DescriptionDecafluorotriphenylphosphine (DFTPP) is commonly used as a check standard for the calibration of mass spectrum detector (MSD) prior to the analysis of samples under investigation.
Suppliers63 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
天津瑞德法莫科技有限公司13821803402 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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