Grundinformationen
- Standard-SMILES
CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1- InChIKey
PAQZWJGSJMLPMG-UHFFFAOYSA-N- Summenformel
- C9H21O6P3
- Durchschnittliche Molmasse
- 318,18 g/mol
- Monoisotopische Masse
- 318,05509828
Namen und Bezeichner
- Bevorzugter Name
- Propylphosphonic anhydride
- IUPAC
- 2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
- Englischer Name
- Propylphosphonic anhydride
- Summenformel
- C9H21O6P3
- Molmasse
- 318.18
Namen und Synonyme
68957-94-8propylphosphonic anhydride1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxideI6EGD8839NPropanephosphonic acid cyclic anhydrideDTXSID20219011EC 422-210-52,4,6-tri-n-propyl-2,4,6-trioxo-1,3,5,2,4,6-trioxatriphosphorinanePROPYLPHOSPHONIC ANHYDRIDE [MI]PROPANEPHOSPHONIC ACID CYCLIC TRIMER2,4,6-TRIPROPYL-1,3,5-TRIOXA-2,4,6-TRIPHOSPHINANE-2,4,6-TRIOXIDERefChem:869867
Weitere Namen anzeigen
T3P1-PROPANEPHOSPHONIC ANHYDRIDEPPACA1-PROPYLPHOSPHONIC ACID CYCLIC ANHYDRIDE2,4,6-Tripropyl-1,3,5,2,4,6-trioxatriphosphinane 2,4,6-trioxidePPAAPROPANE PHOSPHONIC ACID ANHYDRIDE
DTXCID40141502422-210-51-propanephosphonic acid cyclic anhydride2,4,6-Tripropyl-1,3,5,2,4,6-trioxatriphosphorinane-2,4,6-trioxideMFCD00006583propylphosphonic acid anhydride2,4,6-tripropyl-1,3,5,2lambda5,4lambda5,6lambda5-trioxatriphosphinane 2,4,6-trioxide2,4,6-Tripropyl-1,3,5,2,4,6-trioxatriphosphorinane 2,4,6-trioxide
Datenbank-Bezeichner
- CAS
68957-94-8- PubChem CID
- 111923
- DTXSID
DTXSID20219011- UNII
- I6EGD8839N
- EC Number
- 422-210-5、614-857-9
- Nikkaji
- J2.470.446G、J236.605C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 78,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 335
Physikochemische Eigenschaften
- Siedepunkt
- 65 °C · 65 °C
- Dichte
- 1.069 g/mL · 1.069 g/mL at 25 °C
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- Brechungsindex
- 20 · n20/D 1.418
- Flammpunkt
- 25 °F · 25 °F
- storage temp.
- Flammables area
- Löslichkeit
- Miscible with dioxane, terahydrofuran, dimethyl formamide, polar and aprotic organic solvents.
- Aggregatzustand
- Solution
- Farbe
- Clear yellow to brownish
- Wasserlöslichkeit
- 9.6 g/L · 9.6g/L at 25℃
- BRN
- 5079255 · 5079255
- Stabilität
- Moisture Sensitive
- InChI
- 1S/C9H21O6P3/c1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3/h4-9H2,1-3H3
- InChIKey
- PAQZWJGSJMLPMG-UHFFFAOYSA-N
- SMILES
- CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1
- LogP
- 0 at · 0 at 25℃
- CAS Datenbank
- 68957 · 68957-94-8(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Danger
H290 (84.8%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 30-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20832
Hazard Classes and Categories
Met. Corr. 1 (84.8%)
Met. Corr. 1 (50%)
Skin corrosion - category 1B
Skin Corr. 1B
Sicherheitsdaten
- F
- 21
- wgk
- 1
- tsca
- Yes
- ridadr
- UN 2924 3/PG 3
- hs_code
- 29319019
- RTECS-Nr.
- XS5250000
- risk_code
- 61-20/21-34-67-66-11
- hazard_code
- T,C,F
- safety_code
- 53-26-36/37/39-45-33-16
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Eye Dam. 1Flam. Liq. 2Met. Corr. 1Skin Corr. 1BSkin Sens. 1STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenPropylphosphonic anhydride may be used in the following studies:As coupling agent for the synthesis of bispyridine-based ligands, which are used as bridging linkers in multinuclear platinum anticancer drugs.Microwave-assissted Fischer indolization of arylhydrazines.As acid activating agent for the direct synthesis of acid azides from carboxylic acids.One-pot synthesis of coumarins.Microwave-mediated synthesis of carbocyclic and heterocyclic fused quinolones.One-pot synthesis of 1,2,4-oxadiazoles, 1,3,4-oxadiazoles, and 1,3,4-thiadiazoles from carboxylic acids.Activation of the carboxyl group for hydroxyamidation and peptide coupling and in the one-pot conversion of carboxylic acids into hydroxamic acids.
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