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Diethylethylphosphonat
NSC 2671 · Amgard v 490 · AURORA KA-1434 · Diethyl ethylphosphonate · DIETHYL ETHANEPHOSPHONATE · diethyl ethanylphosphonate · Diethylethylphosphonate,98% · Diethoxyethylphosphine oxide
Identifikatoren & physikalische Daten
| CAS No. | 78-38-6 |
|---|---|
| Summenformel | C6H15O3P |
| Durchschnittliche Molmasse | 166,16 g/mol |
| Monoisotopische Masse | 166,07588097 g/mol |
| SMILES | CCOP(=O)(CC)OCC |
| InChIKey | AATNZNJRDOVKDD-UHFFFAOYSA-N |
| PubChem CID | 6534 |
| ChEMBL | CHEMBL1299387 |
| EC No. | 201-111-9 |
| DTXSID | DTXSID7025051 |
| Lokaler Name | Diethylethylphosphonat |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 114 |
| Stoffklassen | Other Classes -> Organophosphates, Other |
| SpringerMaterials Properties | Dielectric constant |
| LogP (Verteilungskoeffizient) | 0.7 |
| Geruch | SWEET |
| Dichte | 1.0259 at 68 °F (NTP, 1992) - Denser than waterwill sink1.0259 @ 20 °C/4 °C1.0259 @ 20°C1.024 g/mL at 20 °C(lit.) |
| Color/Form | COLORLESS LIQ |
| Löslichkeit | Slightly soluble (NTP, 1992)SLIGHTLY SOL IN WATERSOL IN ALC, ETHERMISCIBLE WITH MOST COMMON ORG SOLVENTSChloroform (Soluble), Dichloromethane, Ethyl Acetate (Slightly)Miscible with alcohol, ether and organic solvents. Slightly miscible with water. |
| Flammpunkt | 220 °F (NTP, 1992)221 °F OC105°C |
| Siedepunkt | 180 to 181 °F at 11 mmHg (NTP, 1992)198 °C @ 760 MM HG198 °C @760 [mm Hg]82-83 °C (11 mmHg) |
| Schmelzpunkt | 388 °F (NTP, 1992) |
| Dampfdichte | 5.73 (AIR= 1) |
| Dampfdruck | 0.31 [mmHg]7.2hPa at 20℃ |
| Brechungsindex | n20/D 1.417 |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| BRN | 1756861 |
| Henry-Konstante | 3.4×100 mol/(m3Pa) at 25℃, Bartelt-Hunt et al. (2008) |
| Dielektrizitätskonstante | 9.9(45℃) |
| Stabilität | Stable, but hydrolyzes under both acidic and basic conditions. Incompatible with strong oxidizing agents. |
| LogP (Verteilungskoeffizient) | 3.2 at 20℃ |
| CAS Datenbank | 78-38-6(CAS DataBase Reference) |
| EPA chemische Informationen | Diethyl ethylphosphonate (78-38-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (99.2%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 257 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Phosphonic acid, ethyl-, diethyl esterStatus: Active Update: 29-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/26623Phosphonic acid, ethyl-, diethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| DOT-Kennzeichnung | Class 9 |
| Brandgefahren | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: |
| Brandpotenzial | COMBUSTIBLEFIRE HAZARD: MODERATE, WHEN EXPOSED TO HEAT OR FLAME. |
| Gesundheitsgefahren | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: |
| Gefahrenübersicht | Not mutagenic in five strains of Salmonella typhimurium[HSDB] An irritant[MSDSonline] Causes kidney injury in high-dose feeding studies of rats[RTECS] |
| Reaktive Gruppe | Sulfonates, Phosphonates, and Thiophosphonates, Organic |
| Reactivity Profile | Organophosphates, such as DIETHYL ETHYLPHOSPHONATE, are susceptible to formation of highly toxic and flammable phosphine gas in the presence of strong reducing agents such as hydrides. Partial oxidation by oxidizing agents may result in the release of toxic phosphorus oxides. |
| Air and Water Reactions | Slightly water soluble. May hydrolyze under acid or basic conditions (NTP, 1992). |
| Hazard Classes and Categories | Acute Tox. 4 (99.2%) |
| Hazardous Reactivities and Incompatibilities | ...CAN REACT WITH OXIDIZING MATERIALS. |
| Brandbekämpfung | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Brandbekämpfungsverfahren | TO FIGHT FIRE: FOAM, CARBON DIOXIDE, DRY CHEMICAL... |
| Lagerbedingungen | IN GENERAL, MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMP INTO TOXIC COMPONENTS...SHOULD BE STORED IN A COOL, WELL-VENTILATED PLACE, OUT OF DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, & SHOULD BE PERIODICALLY INSPECTED... INCOMPATIBLE MATERIALS SHOULD BE ISOLATED FROM EACH OTHER. |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: Use absorbent paper to pick up spilled material. Follow by washing surfaces well first with alcohol, then with soap and water. Seal all wastes in vapor-tight plastic bags for eventual disposal. |
| Isolation and Evacuation | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: |
| Protective Action Criteria (PAC) | 7.0 [mg/m3]77 [mg/m3]460 [mg/m3] |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| Non-Human Toxicity Excerpts | Diethyl ethylphosphonate (DEP) was tested for mutagenicity using the Salmonella/microsome preincubation assay using the standard protocol approved by the National Toxicology Program. DEP was tested at doses of 0.33, 1.0, 3.3, 10, and 10.2 mg/plate in as many as 5 Salmonella typhimurium strains (TA1535, TA1537, TA97, TA98, and TA100) in the presence and absence of rat or hamster liver S-9. DEP was negative in these tests and the highest ineffective dose tested in any S. typhimurium strain was 10.2 mg/plate. |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3082 9/PG 3 |
| Zollcode | 29310040 |
| RTECS-Nr. | SZ7925000 |
| R-Sätze (R) | 36/37/38-51/53-41-22 |
| Gefahrensymbole | Xi,N,Xn |
| Sicherheitshinweise (S) | 37/39-26-61-39 |
| Gefahrenklasse | 9 |
| Gefahrstoffdaten | 78-38-6(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
Diethyl Ethylphosphonate can be used as a flame retardant, and also used as a general reagent in phosphinoalkene and phosphinoalkyne synthesis.