(1,3-Dioxolan-2-ylmethyl)triphenylphosphoniumbromid

(1,3-Dioxolan-2-ylmethyl)triphenylphosphonium bromide

HCID 2724194

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Grundinformationen

CAS: 52509-14-5
Standard-SMILES: [Br-].c1ccc([P+](CC2OCCO2)(c2ccccc2)c2ccccc2)cc1
InChIKey: FRHRVQQUICVJDG-UHFFFAOYSA-M
Summenformel: C22H22BrO2P
Durchschnittliche Molmasse: 429,3 g/mol
Monoisotopische Masse: 428,05407867

Namen und Bezeichner

Bevorzugter Name: (1,3-Dioxolan-2-ylmethyl)triphenylphosphonium bromide
IUPAC: 1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium bromide
Lokaler Name: (1,3-Dioxolan-2-ylmethyl)triphenylphosphoniumbromid
Englischer Name: (1,3-Dioxolan-2-ylmethyl)triphenylphosphonium bromide
Summenformel: C22H22BrO2P
Molmasse: 429.29

Namen und Synonyme

52509-14-5(1,3-Dioxolan-2-ylmethyl)triphenylphosphonium bromideRefChem:68095DHX-1257-977-3((1,3-Dioxolan-2-yl)methyl)triphenylphosphonium bromide[(1,3-dioxolan-2-yl)methyl]triphenylphosphonium bromide(1,3-Dioxolan-2-yl)methyltriphenylphosphonium BromideMFCD00011966Phosphonium, (1,3-dioxolan-2-ylmethyl)triphenyl-, bromideEINECS 257-977-31,3-dioxolan-2-ylmethyl(triphenyl)phosphanium;bromide

Weitere Namen anzeigen

OMTPPB96.0%(T)2-(1,3)-DIOLABOTEST-BB LT00233112Amyl 4-Carboxyphenyl Carbonate >(1,3-DIOXOLAN-2-YL)-METHYLTRIPHENYLPHOSP1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium1,3-Dioxolan-2-ylmethyl-triphenylphosphanium bromide(2-(Triphenylphosphonio)methyl)-1,3-dioxolaneBromide

1,3-dioxolan-2-ylmethyl(triphenyl)phosphonium bromideCS-W008414(1,3-Dioxolan-2-ylmethyl)triphenyl-phosphonium bromide[(1,3-dioxolan-2-yl)methyl]triphenylphosphanium bromide(1,3-dioxolan-2-ylmethyl)triphenylphosphine, bromideSCHEMBL510812(1,3-Dioxolan-2-ylmethyl)(triphenyl)phosphonium bromideDTXSID00966950

Datenbank-Bezeichner

CAS: 52509-14-5
PubChem CID: 2724194
DTXSID: DTXSID00966950
EC Number: 257-977-3

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 5
Schwere Atome: 26
Formalladung: 0
Komplexität: 343

Physikochemische Eigenschaften

Schmelzpunkt: 193 · 193-195 °C(lit.)
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Powder or Crystals
Farbe: White to light brown
Wasserlöslichkeit: Soluble in water (20°C).
InChI: InChI=1S/C22H22O2P.BrH/c1-4-10-19(11-5-1)25(18-22-23-16-17-24-22,20-12-6-2-7-13-20)21-14-8-3-9-15-21;/h1-15,22H,16-18H2;1H/q+1;/p-1
InChIKey: FRHRVQQUICVJDG-UHFFFAOYSA-M
SMILES: [P+](C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)CC1OCCO1.[Br-]
CAS Datenbank: 52509 · 52509-14-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (91.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information(1,3-dioxolan-2-yl)-methyltriphenylphosphonium bromide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (91.5%)

Sicherheitsdaten

wgk: 3
hs_code: 29329970
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden(1,3-Dioxolan-2-ylmethyl)triphenylphosphonium Bromide is used as a reactant in the synthesis of ketolides methyloxoerythromycins with antibacterial activity as highly potent against macrolide-resistant and susceptible respiratory pathogens.