Basic information
- CAS
21050-13-5- Standard SMILES
[Cl-].c1ccc(P(=N[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1- InChIKey
LVRCYPYRKNAAMX-UHFFFAOYSA-M- Molecular formula
- C36H30ClNP2
- Average molar mass
- 574 g/mol
- Monoisotopic mass
- 573.1542017
Overview
structure given in first source; RN given for chloride salt
Names & identifiers
- Preferred name
- Bis(triphenylphosphine)iminium chloride
- IUPAC
- triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium chloride
- English name
- Bis(triphenylphosphine)iminium chloride
- Molecular formula
- C36H30ClNP2
- Molecular weight
- 574.04
Names & synonyms
21050-13-5Bis(triphenylphosphine)iminium chlorideBis(triphenylphosphoranylidene)ammonium chlorideBis(triphenylphosphoranylidene)ammoniumDTXSID90201600RefChem:569344DTXCID80124091244-170-61,1,1-Triphenyl-N-(triphenylphosphoranylidene)phosphoraniminium chloride[ppn]clC36H30ClNP253433-12-8
Show more names
ppnclPPNCIBTPPN+Cl-idene)ammonium chLtriphenyl-[(triphenyl-bis(triphenylphosphino)chloroBis(triphenylphosphine)iMiniuMHEXAPHENYLDIPHOSPHAZENIUM CHLORIDEBIS(TRIPHENYLPHOSPHINE)IMINIUMHLORIDE
EINECS 258-552-5MFCD00151523Triphenyl(P,P,P-triphenylphosphine imidato)phosphorus(1+) chloridetriphenyl-[(triphenyl-lambda5-phosphanylidene)amino]phosphanium;chlorideTRIPHENYL[(TRIPHENYL-Bis-(triphenylphosphoranylidene) ammonium chlorideAKOS015915599CS-W009376
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 607
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Physical DescriptionWhite powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 270 · 270-272 °C(lit.)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Powder
- color
- white
- Water Solubility
- Moderately soluble in water.
- BRN
- 4097979 · 4097979
- InChI
- InChI=1S/C36H30ClNP2/c37-40(34-25-13-4-14-26-34,35-27-15-5-16-28-35,36-29-17-6-18-30-36)38-39(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33/h1-30H
- InChIKey
- QMTYWEYUVVWPQL-UHFFFAOYSA-N
- SMILES
- P(Cl)(C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)N=P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1
- CAS DataBase Reference
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, P317, 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryAn irritant; [Alfa Aesar MSDS] See Triphenylphosphine oxide.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38-20
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36-38-36/37/39-22
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H332-H335
- Hazard Classifications
- Acute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Applications
Usessuzuki reaction
UsesCo-catalyst used with a chiral Cobalt-salen complex for the asymmetric addition of carbon dioxide to propylene oxide. Also used in the preparation of 5-Hydroxy-clethodim Sulfoxide.
UsesBis(triphenylphosphoranylidene)ammonium chloride was used in two-phase titration and electrochemistry, done for physiochemical characterization of sildenafil. It was also used in cyclic voltammetry reactions, used to study ion transfer (IT) and electron transfer (ET), at a liquid-liquid interface supported on a metallic electrode.
General DescriptionVisit our Sensor Applications portal to learn more.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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