HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Phosphonopropionsure
3-PHOSPHONOPROPANOIC ACID · 2-CARBOXYETHYLPHOSPHONIC ACID · PHOSPHONOPROPIONICACID · 3-phosphono-propanoicaci · 3-PHOSPHONOPROPIONIC ACID · 3-PhosphonopropionicAcid>3-Phosphonopropionicacid,94% · beta-Phosphonopropionic acid · Propanoic acid, 3-phosphono-
Identifikatoren & physikalische Daten
| CAS No. | 5962-42-5 |
|---|---|
| Summenformel | C3H7O5P |
| Durchschnittliche Molmasse | 154,06 g/mol |
| Monoisotopische Masse | 154,00310995 g/mol |
| SMILES | O=C(O)CCP(=O)(O)O |
| InChIKey | NLBSQHGCGGFVJW-UHFFFAOYSA-N |
| PubChem CID | 1682 |
| ChEMBL | CHEMBL1088324 |
| EC No. | 227-738-8 |
| DTXSID | DTXSID3064069 |
| Lokaler Name | 3-Phosphonopropionsure |
Chemische & physikalische Eigenschaften
| XLogP | -2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 94,8 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 146 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 165 °C |
| Siedepunkt | 459.8±47.0 °C(Predicted) |
| Dichte | 1.677±0.06 g/cm3(Predicted) |
| Brechungsindex | 1.5180 (estimate) |
| Flammpunkt | 150 °C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| pKa (Säurekonstante) | 2.16±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | White |
| Löslichkeit | 328g/L(20 ºC) |
| BRN | 1768923 |
| InChI | 1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8) |
| InChIKey | NLBSQHGCGGFVJW-UHFFFAOYSA-N |
| SMILES | OC(=O)CCP(O)(O)=O |
| CAS Datenbank | 5962-42-5 |
| EPA chemische Informationen | 3-Phosphonopropionic acid (5962-42-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 44% (37 of 84) of reports.DangerH314 (56%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 84 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Propanoic acid, 3-phosphono- |
| Hazard Classes and Categories | Skin Corr. 1B (56%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29319090 |
| RTECS-Nr. | UA2558437 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-28-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3-Phosphonopropionic acid was used to functionalize the bulk phosphate glass surface.