CAS 2526-64-9 Triphenylphosphine dichloride (HCID 260420)

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Basic information

CAS: 2526-64-9
Standard SMILES: ClP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey: ASWXNYNXAOQCCD-UHFFFAOYSA-N
Molecular formula: C18H15Cl2P
Average molar mass: 333.2 g/mol
Monoisotopic mass: 332.02884247

Names & identifiers

Preferred name: Triphenylphosphine dichloride
IUPAC: dichloro(triphenyl)-λ5-phosphane
English name: Dichlorotriphenylphosphorane
Molecular formula: C18H15Cl2P
Molecular weight: 333.19

Names & synonyms

Dichlorotriphenylphosphorane2526-64-9Triphenylphosphine dichloridePhosphorane, dichlorotriphenyl-triphenyldichlorophosphoraneTriphenylphosphorane dichlorideNSC-917016CL2293LZ3DTXSID50293708RefChem:900016DTXCID20244848607-677-7

Show more names

triphenyldichlorophosphinoDICHLORO TRIPHENYL PHOSPHINEDichloride TriphenylphosphineTriphenyldichlorophosphorus(V)Phosphorane,dichlorotriphenyl-Dichlorotriphenylphosphorane 95%

dichloro(triphenyl)-lambda5-phosphaneDichlorotriphenyl-lambda5-phosphanedichlorotriphenyl-l5-phosphaneUNII-6CL2293LZ3Triphenylphosphine Dichloride;NSC91701MFCD00010359Cl2P(PPh3)3

Database identifiers

CAS: 2526-64-9
PubChem CID: 260420
DTXSID: DTXSID50293708
UNII: 6CL2293LZ3
EC Number: 607-677-7
Nikkaji: J324.827E

Properties

Computed structural properties

XLogP: 6.2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 285

Physicochemical properties

Melting point: 85 °C · 85 °C (dec.) (lit.)
Flash point: 68 °F · 68 °F
storage temp.: 2 · Storage temp. 2-8°C
solubility: Chloroform (Soluble), Dichloromethane (Slightly)
form: Solid
color: White to Light Yellow
Water Solubility: Reacts with water.
Sensitive: Moisture Sensitive
Stability: Extremely Moisture Sensitive, Hygroscopic
InChI: InChI=1S/C18H15Cl2P/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey: ASWXNYNXAOQCCD-UHFFFAOYSA-N
SMILES: P(Cl)(Cl)(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
FDA UNII: 6 CL2293LZ3 · 6CL2293LZ3
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H228 (88.6%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, 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

Hazard Classes and CategoriesFlam. Sol. 2 (88.6%)

Safety data

wgk: 3
ridadr: UN 2925 4.1/PG 2
risk_code: 45-11-34
Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS08
hazard_code: F,T
safety_code: 53-26-36/37/39-45-16
hazard_class: 8
Storage Class: 4.1B - Flammable solid hazardous materials
packing_group: II
Hazard statements: H228-H314-H350
Hazard Classifications: Carc. 1BEye Dam. 1Flam. Sol. 2Skin Corr. 1B
Precautionary statements: P210-P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Applications · 2 items

UsesDichlorotriphenylphosphorane may be used in the synthesis of the following:tertiary benzanilide derivativesN-phosphodipeptidesdialkyl phosphorochloridites based on the reaction of trialkyl phosphitesnaphthalene ring-based calix[3]amide, via reaction with 6-amino-2-naphthoic acidC2v-symmetrical cyclic tetramers of aromatic amides

General DescriptionDichlorotriphenylphosphorane (Triphenylphosphine dichloride, PPh3Cl2) is a phosphorous halide. Stability and reactivity of dichlorotriphenylphosphorane have been studied by solid state 31P NMR spectroscopy. It participates in the conversion of carboxylic esters to acid halides and mechanism of this cleavage has been investigated. Modified method has been proposed in which dichlorotriphenylphosphorane participates in the synthesis of tertiary amides.