HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Chlorbenzoxazol
2-chlorobenzo[d]oxazole · 2-Chloro-1,3-benzoxazole · orobenzoxazoL · 2-chloro-benzoxazol · 2-CHLOROBENZOXAZOLE · OTAVA-BB BB7020204750 · Pemafibrate Impurity 3 · Benzoxazole, 2-chloro-
Identifikatoren & physikalische Daten
| CAS No. | 615-18-9 |
|---|---|
| Summenformel | C7H4ClNO |
| Durchschnittliche Molmasse | 153,56 g/mol |
| Monoisotopische Masse | 152,99814143 g/mol |
| SMILES | Clc1nc2ccccc2o1 |
| InChIKey | BBVQDWDBTWSGHQ-UHFFFAOYSA-N |
| PubChem CID | 11986 |
| ChEMBL | CHEMBL4575218 |
| EC No. | 210-414-5 |
| DTXSID | DTXSID5060643 |
| Lokaler Name | 2-Chlorbenzoxazol |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 131 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | 7 °C(lit.) |
| Siedepunkt | 201-202 °C(lit.) |
| Dichte | 1.345 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.566(lit.) |
| Flammpunkt | 185 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 0.62±0.10(Predicted) |
| Farbe | White |
| Löslichkeit | Not miscible in water. |
| BRN | 115982 |
| InChI | InChI=1S/C7H4ClNO/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H |
| InChIKey | BBVQDWDBTWSGHQ-UHFFFAOYSA-N |
| SMILES | O1C2=CC=CC=C2N=C1Cl |
| CAS Datenbank | 615-18-9(CAS DataBase Reference) |
| NIST chemische Informationen | Benzoxazole, 2-chloro-(615-18-9) |
| EPA chemische Informationen | Benzoxazole, 2-chloro- (615-18-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29349990 |
| RTECS-Nr. | DM4680000 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36/37/39-37/39-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Chlorobenzoxazole was used in the synthesis of 2-(2-naphthylamino)benzoxazole via reaction with 2-amino-1-naphthalenesulfonic acid.