HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,3-Dihydro-4-methyl-1-phenyl-1H-phosphol-1-oxid
3-Methyl-1-Phenyl-2 · 3-methyl-1-phenyl-2-phospholen1-oxide · 3-Methyl-1-Phenyl-2-Phosphelene 1-Oxide · 1-Phenyl-3-methyl-4,5-dihydro-1H-phosphole 1-oxide · 4-METHYL-1-PHENYL-2,3-DIHYDRO-1H-1LAMBDA5-PHOSPHOL-1-ONE · NSC 107634 · -2-phosphoL · ene 1-Oxide
Identifikatoren & physikalische Daten
| CAS No. | 707-61-9 |
|---|---|
| Summenformel | C11H13OP |
| Durchschnittliche Molmasse | 192,19 g/mol |
| Monoisotopische Masse | 192,07040167 g/mol |
| SMILES | CC1=CP(=O)(c2ccccc2)CC1 |
| InChIKey | YMKWWHFRGALXLE-UHFFFAOYSA-N |
| PubChem CID | 69722 |
| ChEMBL | CHEMBL1256413 |
| EC No. | 211-901-5 |
| DTXSID | DTXSID0051497 |
| Lokaler Name | 2,3-Dihydro-4-methyl-1-phenyl-1H-phosphol-1-oxid |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 261 |
| SpringerMaterials Properties | Chemical shift |
| Collision Cross Section | 141.7 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID0051497] |
| Schmelzpunkt | 58-62 °C |
| Siedepunkt | 150 °C/0.15 mmHg (lit.) |
| Dichte | 1.11±0.1 g/cm3(Predicted) |
| Brechungsindex | n20/D 1.5707(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | Soluble in polar solvents. |
| Aggregatzustand | Lumps |
| Farbe | White to cream |
| BRN | 609223 |
| InChI | InChI=1S/C11H13OP/c1-10-7-8-13(12,9-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3 |
| InChIKey | YMKWWHFRGALXLE-UHFFFAOYSA-N |
| SMILES | P1(=O)(C2=CC=CC=C2)C=C(C)CC1 |
| CAS Datenbank | 707-61-9(CAS DataBase Reference) |
| EPA chemische Informationen | 1H-Phosphole, 2,3-dihydro-4-methyl-1-phenyl-, 1-oxide (707-61-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.6% (1 of 165) of reports.WarningH302+H312+H332 (63%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 165 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 1H-Phosphole, 2,3-dihydro-4-methyl-1-phenyl-, 1-oxide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Acute Tox. 4 (99.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2931499090 |
| RTECS-Nr. | SZ6105100 |
| R-Sätze (R) | 20/21/22-36/37/38-40 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-28-36/37/39-45 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 OralAquatic Chronic 3Carc. 2 |
Anwendungen & Verwendung
Verwenden
3-Methyl-1-phenyl-2-phospholene 1-oxide is used as a catalyst for intramolecular aza-wittig cyclization reactions and polymerization reactions. It is a reactant used for the preparation of phospha sugars and their radical bromination derivatives as anticancer agents.