(3-(Ethoxycarbonyl)propyl)triphenylphosphonium Bromide

HCID 2773643

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Grundinformationen

CAS: 50479-11-3
Standard-SMILES: CCOC(=O)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey: JPZMNVPVVYVXAD-UHFFFAOYSA-M
Summenformel: C24H26BrO2P
Durchschnittliche Molmasse: 457,3 g/mol
Monoisotopische Masse: 456,08538

Namen und Bezeichner

Bevorzugter Name: (3-(Ethoxycarbonyl)propyl)triphenylphosphonium Bromide
IUPAC: (4-ethoxy-4-oxobutyl)-triphenylphosphanium bromide
Englischer Name: [3-(Ethoxycarbonyl)propyl]triphenylphosphonium bromide
Summenformel: C24H26BrO2P
Molmasse: 457.34

Namen und Synonyme

[3-(Ethoxycarbonyl)propyl]triphenylphosphonium bromide(3-(Ethoxycarbonyl)propyl)triphenylphosphonium BromideRefChem:399668610-534-150479-11-3(4-ethoxy-4-oxobutyl)triphenylphosphonium bromideMFCD00274610(4-ethoxy-4-oxobutyl)-triphenylphosphanium;bromideNSC269919(4-Ethoxy-4-oxobutyl)triphenylphosphonium Bromide (1:1); 3-Carboethoxypropyltriphenylphosphonium Bromide; NSC 269919[3-(Ethoxycarbonyl)prop-1-yl]tris(phenyl)phosphonium bromideethoxycarbonylpropyltriphenylphosphonium bromide

Weitere Namen anzeigen

NSC 269919RARECHEM FH KO 0044(3-Ethoxycarbonyl-propyl)-triphenyl-phosphonium(3-(ethoxycarbonyl)propyl)triphenyl-phosphonium B3- (ethoxycarbonyl) propyl] triphenylphosphine bromide(3-Ethoxycarbonylpropyl)triphenylphosphoniumbromide,97%(4-ethoxy-4-oxobutyl)triphenyl-Phosphonium bromide (1:1)

(4-ethoxy-4-oxobutyl)-triphenylphosphanium,bromideSCHEMBL274167Phosphonium, (4-ethoxy-4-oxobutyl)triphenyl-, bromideDTXSID30964707JPZMNVPVVYVXAD-UHFFFAOYSA-MAKOS004903756NSC-269919BP-12772

Datenbank-Bezeichner

CAS: 50479-11-3
PubChem CID: 2773643
DTXSID: DTXSID30964707
EC Number: 610-534-1

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 9
Schwere Atome: 28
Formalladung: 0
Komplexität: 386

Physikochemische Eigenschaften

Schmelzpunkt: 165 · 165-167 °C(lit.)
storage temp.: Refrigerator (+4°C)
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
Farbe: White to Off-White
Stabilität: Hygroscopic
InChI: 1S/C24H26O2P.BrH/c1-2-26-24(25)19-12-20-27(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23;/h3-11,13-18H,2,12,19-20H2,1H3;1H/q+1;/p-1
InChIKey: JPZMNVPVVYVXAD-UHFFFAOYSA-M
SMILES: [Br-].CCOC(=O)CCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3

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 (97.5%): 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 40 reports by companies from 3 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.