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2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one
2-Chloro-4H-benzo[d][1,3,2]dioxaphosphinin-4-one · Salicyl Phosphorochloridite · 2-CHLORO-1,3,2-BENZODIOXAPHOSPHORIN-4-ONE · 2-CHLORO-4H-1,2,3-BENZODIOXAPHOSPHORIN-4-ONE · SalPCl · SALICYLCHLOROPHOSPHITE · NSC 40209 · VAN BOOM'S REAGENT
Identifikatoren & physikalische Daten
| CAS No. | 5381-99-7 |
|---|---|
| Summenformel | C7H4ClO3P |
| Durchschnittliche Molmasse | 202,53 g/mol |
| Monoisotopische Masse | 201,9586587 g/mol |
| SMILES | O=C1OP(Cl)Oc2ccccc21 |
| InChIKey | BVOITXUNGDUXRW-UHFFFAOYSA-N |
| PubChem CID | 237010 |
| EC No. | 629-555-2 |
| DTXSID | DTXSID10285003 |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 199 |
| Schmelzpunkt | 36-40 °C (lit.) |
| Siedepunkt | 127-128 °C/11 mmHg (lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Soluble in acetonitrile, dichloromethane, tetrahydrofuron and dimethylformamide. |
| Aggregatzustand | solid |
| Farbe | White or Colorless to Orange to Green |
| BRN | 1311951 |
| Stabilität | Water Sensitive |
| InChI | InChI=1S/C7H4ClO3P/c8-12-10-6-4-2-1-3-5(6)7(9)11-12/h1-4H |
| InChIKey | BVOITXUNGDUXRW-UHFFFAOYSA-N |
| SMILES | O1C2=CC=CC=C2C(=O)OP1Cl |
| CAS Datenbank | 5381-99-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, 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.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. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 3-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 1 |
| Zollcode | 29349990 |
| R-Sätze (R) | 14-34-37 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-43-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one is a reagent used in phosphorylation and phosphitylation of alcohols and in the formation of H-phosphonates. It is also reactive cyclic phosphitylating reagent involved in fast coupling rates and hydrolytic cleavage more readily compare to that of a acyclic analog.