HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Chlor-1,1-diethoxypropan
1-Chloro-3,3-diethoxypropane · NSC 60136 · oroprionaL · dehyde DiethyL · (stabilized with CaCO3) · 3,3-Diethoxypropyl chloride · 3-CHLORO-1,1-DIETHOXYPROPANE · 3-chloro-1,1-diethoxy-propan
Identifikatoren & physikalische Daten
| CAS No. | 35573-93-4 |
|---|---|
| Summenformel | C7H15ClO2 |
| Durchschnittliche Molmasse | 166,64 g/mol |
| Monoisotopische Masse | 166,0760574 g/mol |
| SMILES | CCOC(CCCl)OCC |
| InChIKey | NXHONHDWVLPPCS-UHFFFAOYSA-N |
| PubChem CID | 96217 |
| EC No. | 252-623-4 |
| DTXSID | DTXSID20189048 |
| Lokaler Name | 3-Chlor-1,1-diethoxypropan |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 62,6 |
| Stoffklassen | Other Classes -> Halogenated Ethers |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| Siedepunkt | 84 °C25 mm Hg(lit.) |
| Dichte | 0.995 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.42(lit.) |
| Flammpunkt | 98 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Soluble), Ethyl Acetate (Slightly), Methanol (Slightly) |
| Aggregatzustand | Oil |
| Farbe | Colourless to Off-White |
| BRN | 1698609 |
| InChI | InChI=1S/C7H15ClO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-6H2,1-2H3 |
| InChIKey | NXHONHDWVLPPCS-UHFFFAOYSA-N |
| SMILES | C(OCC)(OCC)CCCl |
| CAS Datenbank | 35573-93-4(CAS DataBase Reference) |
| NIST chemische Informationen | «beta»-Chloropropionaldehyde diethyl acetal(35573-93-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (98%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 3-Chloro-1,1-diethoxypropane: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Flam. Liq. 3 (98%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1989 3/PG 3 |
| Zollcode | 29091990 |
| R-Sätze (R) | 10-36/37/38 |
| Gefahrensymbole | Xi,F |
| Sicherheitshinweise (S) | 26-36-16 |
| Gefahrenklasse | 3Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
3-Chloropropionaldehyde diethylacetal has been used in the synthesis of:N-[4-[[3-(2, 4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)propyl]amino]benzoyl]-L-glutamic acid, an acyclic analog of 5,6,7,8-tetrahydrofolic acid1-(D,L)-(3′-amino, 3′-carboxypropyl)uracil, nucleoamino acid7-methoxychromanonegrignard reagent