HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chlor-3-nitrobenzylalkohol
RARECHEM AL BD 0170 · 3-Nitro-4-chlorobenzyl alcohol · 4-Chloro-3-nitrobenzyl alcohol · 3-Nitro-4-chlorobenzenemethanol · 4-chloro-3-nitrobenzyl alchohol · (4-chloro-3-nitrophenyl)Methanol · 4-Chloro-3-nitrobenzyl Alcohol >4-Chloro-3-nitrobenzyl alcohol,98% · 4-CHLORO-3-NITROBENZYL ALCOHOL 98%
Identifikatoren & physikalische Daten
| CAS No. | 55912-20-4 |
|---|---|
| Summenformel | C7H6ClNO3 |
| Durchschnittliche Molmasse | 187,58 g/mol |
| Monoisotopische Masse | 187,00362073 g/mol |
| SMILES | O=[N+]([O-])c1cc(CO)ccc1Cl |
| InChIKey | QLLRQJDSYJIXTN-UHFFFAOYSA-N |
| PubChem CID | 91933 |
| EC No. | 259-901-4 |
| DTXSID | DTXSID90204515 |
| Lokaler Name | 4-Chlor-3-nitrobenzylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 171 |
| Schmelzpunkt | 62-64 °C(lit.) |
| Siedepunkt | 347.6±27.0 °C(Predicted) |
| Dichte | 1.476±0.06 g/cm3 (20 ºC 760 Torr) |
| Brechungsindex | 1.6000 (estimate) |
| Lagerbedingungen | Store at room temperature |
| pKa (Säurekonstante) | 13.43±0.10(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Gray to Brown |
| CAS Datenbank | 55912-20-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, 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 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 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29062990 |
| R-Sätze (R) | 36/37/38-51-43 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-36-26-36/37 |
Anwendungen & Verwendung
Verwenden
(4-Chloro-3-nitrophenyl)methanol is used as a reactant in the preparation of benzimidazole sulfonamides as oral S1P1 receptor antagonists.