CAS 7650-89-7 Phosphine, tris(phenylmethyl)- (HCID 82101)

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Basic information

CAS: 7650-89-7
Standard SMILES: c1ccc(CP(Cc2ccccc2)Cc2ccccc2)cc1
InChIKey: IFXORIIYQORRMJ-UHFFFAOYSA-N
Molecular formula: C21H21P
Average molar mass: 304.4 g/mol
Monoisotopic mass: 304.1380873

Names & identifiers

Preferred name: Phosphine, tris(phenylmethyl)-
IUPAC: tribenzylphosphane
English name: TRIBENZYLPHOSPHINE
Molecular formula: C21H21P
Molecular weight: 304.37

Names & synonyms

Tribenzylphosphine7650-89-7Phosphine, tris(phenylmethyl)-EINECS 231-608-6DTXSID9073385RefChem:861962DTXCID3047895231-608-6tribenzylphosphaneTribenzyl phosphineTRYMETHYL PHOSPHINEMFCD00014439

Show more names

TribenzylphoshineTrisbenzylphosphineTribenzylphosphine 98%TRIBENZYLPHOSPHINE,98%TRIBENZYLPHOSPHINE (TBZP)

Phosphine, tribenzyl-Tris(phenylmethyl)phosphineBn3PTribenzylphosphine, 97%Tribenzylphosphine, 98%(PhCH2)3PSCHEMBL196203HAA65089

Database identifiers

CAS: 7650-89-7
PubChem CID: 82101
DTXSID: DTXSID9073385
EC Number: 231-608-6
Nikkaji: J125.045K

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 235

Physicochemical properties

Melting point: 96 · 96-101 °C (lit.)
Boiling point: 183 · 183-185°C/0.2mm
Flash point: 183 · 183-185°C/0.2mm
form: Crystalline
color: White
Water Solubility: Insoluble in water.
Sensitive: Air & Moisture Sensitive
BRN: 650179 · 650179
InChI: 1S/C21H21P/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2
InChIKey: IFXORIIYQORRMJ-UHFFFAOYSA-N
SMILES: C(P(Cc1ccccc1)Cc2ccccc2)c3ccccc3
CAS DataBase Reference: 7650 · 7650-89-7(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
EPA Substance Registry System: Phosphine, tris(phenylmethyl)- (7650-89-7)
UNSPSC Code: 12352002 · 12352002

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 10-23
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
rtecs: SZ3865000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPhosphine, tris(phenylmethyl)-: INACTIVE

Applications · 2 items

UsesTribenzylphosphine is used as a co catalyst in preparation of coumarin derivatives via nickel-catalyzed cycloaddition, copolymerization reactions, Rh-catalyzed hydroformylation reactions, preparation of substituted allylamines by three-component coupling of alkynes, imines and organoboranes.

UsesCocatalyst in:Preparation of coumarin derivatives via nickel-catalyzed cycloadditionCopolymerization reactionsRh-catalyzed hydroformylation reactionsPlatinum-catalyzed oxidative hydroxylation reactionsPreparation of substituted allylamines by three-component coupling of alkynes, imines and organoboranesRuthenium catalyzed metathesis reactions (Degenerate ligand exchange)