Dibromtriphenylphosphoran

Triphenylphosphine dibromide

HCID 70579CAS 1034-39-5

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Grundinformationen

Standard-SMILES: BrP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey: OCXGTPDKNBIOTF-UHFFFAOYSA-N
Summenformel: C18H15Br2P
Durchschnittliche Molmasse: 422,1 g/mol
Monoisotopische Masse: 419,92781131

Namen und Bezeichner

Bevorzugter Name: Triphenylphosphine dibromide
IUPAC: dibromo(triphenyl)-λ5-phosphane
Lokaler Name: Dibromtriphenylphosphoran
Englischer Name: TRIPHENYLPHOSPHINE DIBROMIDE
Summenformel: C18H15Br2P
Molmasse: 422.09

Namen und Synonyme

Triphenylphosphine dibromide1034-39-5DibromotriphenylphosphoraneTriphenyldibromophosphoranePhosphorane, dibromotriphenyl-Triphenylphosphonium dibromide7Y0J6R63JDEINECS 213-855-1NSC 87871NSC-87871DTXSID3061423TRIPHENYLPHOSPHINE DIBROMIDE [MI]

Weitere Namen anzeigen

SKL183phosphine dibromidedibromo(triphenyl)-dibromotriphenyl-phosphoranDIBROMO TRIPHENYL PHOSPHINETriphenylphosphane dibromide

RefChem:900015DTXCID6032803213-855-1dibromo(triphenyl)-lambda5-phosphaneMFCD00000054C18H15Br2PUNII-7Y0J6R63JDBromotriphenylphosphonium bromide

Datenbank-Bezeichner

CAS: 1034-39-5
PubChem CID: 70579
DTXSID: DTXSID3061423
UNII: 7Y0J6R63JD
EC Number: 213-855-1
Nikkaji: J80.055D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 6,5
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 3
Schwere Atome: 21
Formalladung: 0
Komplexität: 285

Physikochemische Eigenschaften

Schmelzpunkt: 235 °C · 235 °C (dec.) (lit.)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: Crystalline Powder
Farbe: Light yellow to light pink
Wasserlöslichkeit: Soluble in water, dichloromethane, acetonitrile, phenyl cyanide, dimethyl formamide, ether, chloroform, alcohol, carbon tetrachloride, acetic acid and carbon disulfide. Sparingly soluble in phenyl chloride, triphenylphosphine and phenyl hydride. Insoluble in aqueous bromine.
BRN: 917652 · 917652
InChI: InChI=1S/C18H15Br2P/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: OCXGTPDKNBIOTF-UHFFFAOYSA-N
SMILES: P(Br)(Br)(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CAS Datenbank: 1034 · 1034-39-5(CAS DataBase Reference)
EPA chemische Informationen: Phosphorane, dibromotriphenyl- (1034-39-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationPhosphorane, dibromotriphenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

F: 3-10-21
wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
hs_code: 29319019
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPhosphorane, dibromotriphenyl-: ACTIVE

Anwendungen · 1 Eintrag

VerwendenTriphenylphosphine dibromide is used as a reagent for conversion of aldoximes into nitriles. It acts as a reagent for cleavage of acetals. It reacts with amines to give iminophosphoranes. Further, it serves as a reagent in the preparation of alkyl and aryl bromides from alcohols and phenols without rearrangement.