Heptyltriphenylphosphoniumbromid

Heptyltriphenylphosphonium bromide

HCID 2724567CAS 13423-48-8

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Grundinformationen

Standard-SMILES: CCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey: WCZSOHSGMBVYFW-UHFFFAOYSA-M
Summenformel: C25H30BrP
Durchschnittliche Molmasse: 441,4 g/mol
Monoisotopische Masse: 440,12685

Namen und Bezeichner

Bevorzugter Name: Heptyltriphenylphosphonium bromide
IUPAC: heptyl(triphenyl)phosphanium bromide
Lokaler Name: Heptyltriphenylphosphoniumbromid
Englischer Name: Heptyltriphenylphosphonium bromide
Summenformel: C25H30BrP
Molmasse: 441.38

Namen und Synonyme

Heptyltriphenylphosphonium bromideEINECS 236-539-5RefChem:783752236-539-513423-48-8n-Heptyltriphenylphosphonium bromide(1-Heptyl)triphenylphosphonium bromideMFCD00050249heptyltriphenylphosphanium bromideheptyl(triphenyl)phosphanium;bromidePhosphonium, heptyltriphenyl-, bromideC25H30BrP

Weitere Namen anzeigen

TTP(1-Heptyl)Bromo(heptyl)triphenylphosphoraneTriphenylheptylphosphonium bromidebromo(heptyl)triphenyl-l5-phosphaneN-HEPTYL TRIPHENYL PHOSPHONIUMROMIDEHeptyltriphenylphosphoniumBromide>(1-HEPTYL)TRIPHENYLPHOSPHONIUM BROMIDE

heptyl(triphenyl)phosphanium bromiden-Heptyl triphenylphosphonium bromideN-heptyl-triphenylphosphonium bromideSCHEMBL286882Heptyltriphenylphosphoniumbromideheptyltriphenylphosphine, bromiden-heptyltriphenylphosphine bromideDTXSID10928524

Datenbank-Bezeichner

CAS: 13423-48-8
PubChem CID: 2724567
DTXSID: DTXSID10928524
EC Number: 236-539-5

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 9
Schwere Atome: 27
Formalladung: 0
Komplexität: 313

Physikochemische Eigenschaften

Schmelzpunkt: 173 · 173-176 °C(lit.)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: almost transparency in Methanol
Aggregatzustand: Fine Crystalline Powder
Farbe: White
BRN: 3580843 · 3580843
InChI: 1S/C25H30P.BrH/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25;/h6-14,16-21H,2-5,15,22H2,1H3;1H/q+1;/p-1
InChIKey: WCZSOHSGMBVYFW-UHFFFAOYSA-M
SMILES: [Br-].CCCCCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3
CAS Datenbank: 13423 · 13423-48-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

Sicherheitsdaten

wgk: 3
hs_code: 29319000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenHeptyltriphenylphosphonium Bromide can be used for next Reaction: Stereospecific rearrangement of epoxides to quaternary carbaldehydes. Synthesis of the male pheromone of two species of termite Zootermopsis. Regio- and stereoselective TEMPO oxidation. Diastereoselective synthesis of climacostol for antitumor activity. Enantioselective synthesis of chiral vinylphosphonate and phosphonate analogs of immunosuppressive agent FTY720. Preparation of embelin derivatives with XIAP inhibitory and anticancer activity.