HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Chlorphthalimid
ncp · 2-Chloroisoindoline-1,3-dione · Chlorophtalimide · N-Chlorphthalimid · N-CHLOROPHTHALIMIDE · phthalimide chloride · Phthalimidoyl chloride · N-Chlorophthalimide,95%
Identifikatoren & physikalische Daten
| CAS No. | 3481-09-2 |
|---|---|
| Summenformel | C8H4ClNO2 |
| Durchschnittliche Molmasse | 181,57 g/mol |
| Monoisotopische Masse | 180,99305605 g/mol |
| SMILES | O=C1c2ccccc2C(=O)N1Cl |
| InChIKey | WDRFYIPWHMGQPN-UHFFFAOYSA-N |
| PubChem CID | 18997 |
| EC No. | 222-459-8 |
| DTXSID | DTXSID90188346 |
| Lokaler Name | N-Chlorphthalimid |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 217 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 188-198 °C (lit.) |
| Siedepunkt | 315.1±25.0 °C(Predicted) |
| Dichte | 1.56±0.1 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | -3.53±0.20(Predicted) |
| Farbe | White to Almost white |
| InChI | InChI=1S/C8H4ClNO2/c9-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H |
| InChIKey | WDRFYIPWHMGQPN-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=CC=C2)C(=O)N1Cl |
| CAS Datenbank | 3481-09-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.5%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (97.5%) |
| Wassergefährdungsklasse (WGK) | 1 |
| UN-Transportnummer | 1759 |
| Zollcode | 29349990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
N-Chlorophthalimide may be employed in the synthesis of:α-amino acetalα-amino nitro compoundsvicinal diamineα,β-unsaturated vicinal haloamino nitro compoundIt may also be used as a chlorination reagent for the synthesis of 3-(methylthio)oxindoles.