Grundinformationen
- Standard-SMILES
O=P(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
FIQMHBFVRAXMOP-UHFFFAOYSA-N- Summenformel
- C18H15OP
- Durchschnittliche Molmasse
- 278,3 g/mol
- Monoisotopische Masse
- 278,0860521
Namen und Bezeichner
- Bevorzugter Name
- Triphenylphosphine Oxide
- IUPAC
- diphenylphosphorylbenzene
- Lokaler Name
- Triphenylphosphinoxid
- Englischer Name
- Triphenylphosphine oxide
- Summenformel
- C18H15OP
- Molmasse
- 278.28
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
791-28-6- PubChem CID
- 13097
- DTXSID
DTXSID2022121- ChEMBL
CHEMBL482091- ChEBI
CHEBI:36601- UNII
- Z69161FKI3
- EC Number
- 212-338-8
- Nikkaji
- J541J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 281
Experimentelle und physikochemische Eigenschaften
Collision Cross Section
162.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2022121];163.0 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID2022121];182.6 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2022121]
Physikochemische Eigenschaften
- Schmelzpunkt
- 150 · 150-157 °C(lit.)
- Siedepunkt
- 360 °C · 360 °C
- Dichte
- 1 · 1,212 g/cm3
- Dampfdruck
- 1 hPa · <1 hPa (50 °C)
- Flammpunkt
- 180 °C · 180 °C
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 25 mg/mL, · methanol: 25 mg/mL, clear
- Aggregatzustand
- Crystalline Powder or Flakes
- Wichte
- 1.212 · 1.212
- Farbe
- White to pink-brown
- Wasserlöslichkeit
- slightly soluble
- BRN
- 745854 · 745854
- Henry's Law Constant
- 1.9 · 1.9×104 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- Major Application
- pharmaceutical
- InChI
- 1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
- InChIKey
- FIQMHBFVRAXMOP-UHFFFAOYSA-N
- SMILES
- O=P(c1ccccc1)(c2ccccc2)c3ccccc3
- LogP
- 2.8 · 2.8
- CAS Datenbank
- 791 · 791-28-6(CAS DataBase Reference)
- NIST chemische Informationen
- (C6H5)3PO(791-28-6)
- EPA chemische Informationen
- Triphenylphosphine oxide (791-28-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 2% (5 of 245) of reports.
Warning
H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (18%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (18.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (18%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H412 (96.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 245 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 5 of 245 reports by companies.;There are 11 notifications provided by 240 of 245 reports by companies with hazard statement code(s).;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
Regulatory Information
Chemical: Phosphine oxide, triphenyl-
Regulation (EC) No 1831/2003 (amended)
Status: Active Update: 10-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/25368;Status: Active Update: 05-09-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17507
Triphenylphosphine oxide: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes convulsions, aggression, and dyspnea in oral lethal-dose studies of dogs (LD50 = 500 mg/kg); [RTECS] Causes liver injury in 3-month feeding study of dogs at 2,000 ppm; [IUCLID] An irritant; Harmful by ingestion; Targets nerves; [Aldrich MSDS] See Triphenylphosphine.
Hazard Classes and Categories
Acute Tox. 4 (98%);Skin Irrit. 2 (18%);Eye Irrit. 2 (18.4%);STOT SE 3 (18%);Aquatic Chronic 3 (96.3%)
Acute toxicity (Oral) - Category 4;Specific target organ toxicity - Single exposure - Category 2 (central nervous system);Specific target organ toxicity - Repeated exposure - Category 2 (liver);Hazardous to the aquatic environment (Acute) - Category 3;Hazardous to the aquatic environment (Long-term) - Category 3
Toxikologische Informationen
RAIS Toxicity Values
0.02
PPRTV Current
0.02
PPRTV Current
EPA Provisional Peer-Reviewed Toxicity Values
Triphenylphosphine Oxide
2 x 10^-2 mg/kg-day
2 x 10^-2 mg/kg-day
PDF Document
Inadequate information to assess carcinogenic potential
2007
Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06
1.30e+03
1.60e+04
3.60e+02
5.00e+01
1.50e+00
2.00e-02
Hazard Quotient Level 3 or Cancer Risk Level 1E-04
3.80e+03
4.90e+04
1.10e+03
5.00e+01
2.00e-02
Volatile
Regulatorische Informationen
Regulatory Information
Chemical: Phosphine oxide, triphenyl-
Regulation (EC) No 1831/2003 (amended)
Status: Active Update: 10-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/25368;Status: Active Update: 05-09-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17507
Triphenylphosphine oxide: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- 3077
- hs_code
- 29310095
- RTECS-Nr.
- SZ1676000
- risk_code
- 22-36/37/38-52/53
- Toxizität
- LD50 orally in Rabbit: 685 mg/kg
- hazard_code
- Xn,Xi
- safety_code
- 26-61-36
- hazard_class
- 9
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3
- Selbstentzündungstemperatur
- 590 °C
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
BeschreibungTriphenylphosphine oxide (TPPO) is a coordinating solvent used to activate crystallization of chemical compounds. It has been used in flame retardant applications, as an epoxy cure catalyst, and more recently, to produce nanostructures.
VerwendenTriphenylphosphine oxide is a phosphine ligand used for coupling reactions, epoxidations, and Michael reactions
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Ergänzende Hinweise
DefinitionChEBI: A phosphine oxide in which the substituents on phosphorus are three phenyl groups.
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