HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 4564495Erstellt: 27. Oktober 2026
tert-Butyl Dimethylphosphonoacetate
tert-Butyl dimethylphosphonoacetate · tert-Butyl 2-(diMethoxyphosphoryl)acetate · TERT-BUTYL P,P-DIMETHYLPHOSPHONOACETATE · tert-Butyl O,O-dimethylphosphonoacetate · MRIO-005 · P,P-dimethyL · Ethephon Impurity 26 · Dimethyl (Boc-methyl)phosphonate
https://huagongshe.com/de/chemical/4564495
Identifikatoren & physikalische Daten
| CAS No. | 62327-21-3 |
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| Summenformel | C8H17O5P |
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| Durchschnittliche Molmasse | 224,19 g/mol |
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| Monoisotopische Masse | 224,08136027 g/mol |
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| SMILES | COP(=O)(CC(=O)OC(C)(C)C)OC |
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| InChIKey | SAZYDWOWLRDDRQ-UHFFFAOYSA-N |
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| PubChem CID | 4564495 |
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| EC No. | 629-650-9 |
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| DTXSID | DTXSID00404307 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
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| Polarare Oberfläche (TPSA) | 61,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 235 |
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| Siedepunkt | 86-87 °C0.02 mm Hg(lit.) |
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| Dichte | 1.131 g/mL at 20 °C(lit.) |
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| Brechungsindex | n20/D 1.434 |
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| Flammpunkt | 110 ºC |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| Aggregatzustand | clear liquid |
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| Farbe | Colorless to Almost colorless |
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| BRN | 4861886 |
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| InChI | InChI=1S/C8H17O5P/c1-8(2,3)13-7(9)6-14(10,11-4)12-5/h6H2,1-5H3 |
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| InChIKey | SAZYDWOWLRDDRQ-UHFFFAOYSA-N |
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| SMILES | C(OC(C)(C)C)(=O)CP(OC)(OC)=O |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| F | 9-23 |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2931.39.0030 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26 |
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| Lagerklasse | 10 - Combustible liquids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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Anwendungen & Verwendung
Verwenden
Reactant for:Preparation of phosphonate terminated PPH dendrimers as anti-HIV-1 agentsPreparation of monodehydro diketopiperazines from ketoacyl amino acid amides via acid-catalyzed cyclizationPreparation of α,β-unsaturated esters for use in the guanidine-catalyzed oxa-Michael additionPreparation of myxopyronin B and desmethyl myxopyronin B analogs, with antibacterial activity and inhibitory activity against bacterial RNA polymeraseAllylation and subsequent ring-closing metathesis in presence of Grubbs′ catalyst or intramolecular rhodium-catalyzed cyclopropanation reactions
