HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Phosphonoessigsure
Fosfonet · 2-phosphonoacetic acid · NSC-18205 · AURORA KA-1453 · phosphonaceticacid · Fosfonoacetic acid · phosphono-aceticaci · Phosphonacetic acid
Identifikatoren & physikalische Daten
| CAS No. | 4408-78-0 |
|---|---|
| Summenformel | C2H5O5P |
| Durchschnittliche Molmasse | 140,03 g/mol |
| Monoisotopische Masse | 139,98746025 g/mol |
| SMILES | O=C(O)CP(=O)(O)O |
| InChIKey | XUYJLQHKOGNDPB-UHFFFAOYSA-N |
| PubChem CID | 546 |
| ChEMBL | CHEMBL136061 |
| ChEBI | CHEBI:15732 |
| EC No. | 224-558-1 |
| DTXSID | DTXSID2045107 |
| Lokaler Name | Phosphonoessigsure |
Chemische & physikalische Eigenschaften
| XLogP | -2 |
|---|---|
| Polarare Oberfläche (TPSA) | 94,8 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 133 |
| Löslichkeit | 392000392 mg/mL at 0 °Cwater: soluble100mg/mL, clear to very slightly hazy, colorlessSoluble in water. |
| Schmelzpunkt | 143-146 °C143 - 146 °C143-146 °C (lit.) |
| Dampfdruck | 0.00000067 [mmHg] |
| Physical Description | White crystalline powderOdorless and hygroscopic[Alfa Aesar MSDS]Solid |
| Collision Cross Section | 134.5 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]134.4 Ų [M+Na]+ |
| Siedepunkt | 490.2±47.0 °C(Predicted) |
| Dichte | 1.858±0.06 g/cm3(Predicted) |
| Brechungsindex | 1.5180 (estimate) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 1.74±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to off-white |
| BRN | 1764355 |
| InChI | InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7) |
| InChIKey | XUYJLQHKOGNDPB-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CP(O)(O)=O |
| CAS Datenbank | 4408-78-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (11.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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. |
|---|---|
| Gefahrenübersicht | Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (88.6%)Skin Corr. 1B (11.4%) |
| Protective Action Criteria (PAC) | 1.2 [mg/m3]13 [mg/m3]79 [mg/m3] |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors. |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN3261 |
| Zollcode | 29319019 |
| RTECS-Nr. | AJ3278000 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | 8 |
Anwendungen & Verwendung
Verwenden
Phosphonoacetic acid inhibits deoxyribo nucleic acid polymerase, especially in viruses. It is used as an antiviral agent. Further, it is used in the preparation of 1-(dimethylamino)-2,2-bis[(dimethylimmonio)-methyl]ethene diperchlorate by reacting with phosphorus oxychloride.