(Triphenylphosphoranyliden)acetaldehyd

(Triphenylphosphoranylidene)acetaldehyde

HCID 75051CAS 2136-75-6

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Grundinformationen

Standard-SMILES: O=CC=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey: CQCAYWAIRTVXIY-UHFFFAOYSA-N
Summenformel: C20H17OP
Durchschnittliche Molmasse: 304,3 g/mol
Monoisotopische Masse: 304,10170179

Namen und Bezeichner

Bevorzugter Name: (Triphenylphosphoranylidene)acetaldehyde
IUPAC: 2-(triphenyl-λ5-phosphanylidene)acetaldehyde
Lokaler Name: (Triphenylphosphoranyliden)acetaldehyd
Englischer Name: (Formylmethylene)triphenylphosphorane
Summenformel: C20H17OP
Molmasse: 304.32

Namen und Synonyme

2136-75-6(Triphenylphosphoranylidene)acetaldehyde2-(Triphenylphosphoranylidene)acetaldehydeDTXSID60175622EINECS 218-375-6RefChem:408577DTXCID7098113218-375-6(Formylmethylene)triphenylphosphoraneFormylmethylenetriphenylphosphoraneFormylmethylene triphenylphosphoraneMFCD00006994

Weitere Namen anzeigen

Ph3P(Formylmethylene)triphenylphosphorane, 97%, may cont. up to ca 3% waterFMYidene)acetaLTriphenylphosphoranyTri Phenyl PhosphoraneTriPhenylPhosphine(TPP)Formylmethyltriphenylphosphine

2-(triphenyl-lambda5-phosphanylidene)acetaldehydeAcetaldehyde, (triphenylphosphoranylidene)-(triphenylphosphoranylidene) acetaldehydeP7LZM6552Ktriphenylphosphoranylidene acetaldehydeSY030499(Triphenylphosphoranylidene)acetaldehyde, technical, >=95% (NT/PNMR)triphenylphosphoranylideneacetaldehyde

Datenbank-Bezeichner

CAS: 2136-75-6
PubChem CID: 75051
DTXSID: DTXSID60175622
UNII: P7LZM6552K
EC Number: 218-375-6
Nikkaji: J298.723F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 4
Schwere Atome: 22
Formalladung: 0
Komplexität: 344

Physikochemische Eigenschaften

Schmelzpunkt: 185 · 185-188 °C(lit.)
Siedepunkt: 472.6 · 472.6±28.0 °C(Predicted)
Dichte: 1.16 · 1.16±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Löslichkeit: Soluble in Chloroform, Methanol.
Aggregatzustand: Fine Crystalline Powder
Farbe: Pink to brown
BRN: 523797 · 523797
Stabilität: Stable. Combustible. Incompatible with strong oxidizing agents.
InChI: InChI=1S/C20H17OP/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChIKey: CQCAYWAIRTVXIY-UHFFFAOYSA-N
SMILES: C(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CAS Datenbank: 2136 · 2136-75-6(CAS DataBase Reference)

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 48 reports by companies from 8 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
hs_code: 29319090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant/Keep Cold/Air Sensitive
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden(Formylmethylene)triphenylphosphorane is used as Wittig reagent. It is also used as Pharmaceutical Intermediates. It is employed as raw material in organic Synthesis, Agrochemicals.