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2-Chlorphenothiazin
2-chloro-10H-Phenothiazine · Chlorophenothiazine · Chlorpromazine impurity E CRS · NSC 17469 · NSC 67188 · NSC 170953 · orophenothiazine · TIMTEC-BB SBB003255
Identifikatoren & physikalische Daten
| CAS No. | 92-39-7 |
|---|---|
| Summenformel | C12H8ClNS |
| Durchschnittliche Molmasse | 233,72 g/mol |
| Monoisotopische Masse | 233,00659794 g/mol |
| SMILES | Clc1ccc2c(c1)Nc1ccccc1S2 |
| InChIKey | KFZGLJSYQXZIGP-UHFFFAOYSA-N |
| PubChem CID | 7088 |
| ChEMBL | CHEMBL1411769 |
| EC No. | 202-152-5 |
| DTXSID | DTXSID3057854 |
| Lokaler Name | 2-Chlorphenothiazin |
Chemische & physikalische Eigenschaften
| XLogP | 4,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 236 |
| Schmelzpunkt | 195-200 °C (lit.) |
| Siedepunkt | 395.7±31.0 °C(Predicted) |
| Dichte | 1.2350 (rough estimate) |
| Brechungsindex | 1.6100 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly, Sonicated) |
| pKa (Säurekonstante) | -2.28±0.20(Predicted) |
| Aggregatzustand | crystals |
| Farbe | Pale Beige to Beige |
| BRN | 176587 |
| InChI | InChI=1S/C12H8ClNS/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7,14H |
| InChIKey | KFZGLJSYQXZIGP-UHFFFAOYSA-N |
| SMILES | C1=C2C(SC3=C(N2)C=CC=C3)=CC=C1Cl |
| LogP (Verteilungskoeffizient) | 3.28 |
| CAS Datenbank | 92-39-7(CAS DataBase Reference) |
| EPA chemische Informationen | 10H-Phenothiazine, 2-chloro- (92-39-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (67.2%): Causes skin irritation [Warning Skin corrosion/irritation]P203, P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 67 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 26-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/2066910H-Phenothiazine, 2-chloro-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (67.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2934300000 |
| RTECS-Nr. | SN7580000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Skin Sens. 1 |
Anwendungen & Verwendung
Verwenden
2-Chlorophenothiazine may be used as starting reagent for the synthesis of N-(10H-phenothiazin-1-yl) benzene sulphonamide.