(Benzyloxycarbonylmethyl)triphenylphosphonium bromide

HCID 11214019CAS 78385-36-1

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Grundinformationen

Standard-SMILES: O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1.[Br-]
InChIKey: AVQABZVTPWROCF-UHFFFAOYSA-M
Summenformel: C27H24BrO2P
Durchschnittliche Molmasse: 491,4 g/mol
Monoisotopische Masse: 490,06972874

Namen und Bezeichner

Bevorzugter Name: (Benzyloxycarbonylmethyl)triphenylphosphonium bromide
IUPAC: (2-oxo-2-phenylmethoxyethyl)-triphenylphosphanium bromide
Englischer Name: (Benzyloxycarbonylmethyl)triphenylphosphonium bromide
Summenformel: C27H24BrO2P
Molmasse: 491.36

Namen und Synonyme

(Benzyloxycarbonylmethyl)triphenylphosphonium bromideRefChem:405862625-922-678385-36-1(2-(Benzyloxy)-2-oxoethyl)triphenylphosphonium bromideMFCD00191780CS-W009621(Cbz-methyl)triphenylphosphonium bromide(2-oxo-2-phenylmethoxyethyl)-triphenylphosphanium;bromideE76046[2-(Benzyloxy)-2-oxoethyl]triphenylphosphonium Bromide(2-benzyloxy-2-oxo-ethyl)-triphenyl-phosphonium bromide

Weitere Namen anzeigen

triphenyl benzoxycarbonyl Methyl phosphon(benzyloxycarbonylmethyl)triphenyl-phosphonium brtriphenyl benzoxycarbonyl Methyl phosphoniuM broMide[2-oxo-2-(benzyloxy)ethyl]triphenyl-phosphonium bromide(2-oxo-2-phenylmethoxyethyl)-triphenylphosphonium bromide(Benzyloxycarbonylmethyl)triphenylphosphonium bromide, 98 %2-oxo-2-(phenylmethoxy)ethyl]triphenyl-Phosphonium bromide (1:1)(2-(Benzyloxy)-2-oxoethyl)triphenylphosphonium bromide - [B88653]

Phosphonium, [2-oxo-2-(phenylmethoxy)ethyl]triphenyl-, bromide(2-oxo-2-phenylmethoxyeFT-0641674A839407SCHEMBL180801DTXSID20458943AKOS015913459SY113556

Datenbank-Bezeichner

CAS: 78385-36-1
PubChem CID: 11214019
DTXSID: DTXSID20458943
EC Number: 625-922-6

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 8
Schwere Atome: 31
Formalladung: 0
Komplexität: 463

Physikochemische Eigenschaften

Schmelzpunkt: 124 °C · 124 °C (dec.)(lit.)
storage temp.: 2 · Storage temp. 2-8°C
InChI: 1S/C27H24O2P.BrH/c28-27(29-21-23-13-5-1-6-14-23)22-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-20H,21-22H2;1H/q+1;/p-1
InChIKey: AVQABZVTPWROCF-UHFFFAOYSA-M
SMILES: [Br-].O=C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)OCc4ccccc4

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

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

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant for:Atypical aza-Morita-Baylis-Hillman mechanismThermal decompositionDouble aza-Michael reactionCyclodextrin derivativesStereoselective preparation of α,β-unsaturated carbonyl compounds via stereoselective Wittig olefination with aldehydes under solventless conditions or ultrasonicationSynthesis of [difluoro(alkenylphenyl)methyl]phosphonic acids on non-crosslinked polystyrene as inhibitors of PTP-1B via Wittig reaction