HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 28398Erstellt: 26. Oktober 2026
5-Chlorobenzoxazole
NSC 24984 · 5-chloro-benzoxazol · 5-CHLOROBENZOXAZOLE · Benzoxazole, 5-chloro- · 5-Chlorobenzoxazole,98% · 5-Chlorobenzoxazole,95% · 5-chlorobenzo[d]oxazole
https://huagongshe.com/de/chemical/28398
Identifikatoren & physikalische Daten
| CAS No. | 17200-29-2 |
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| Summenformel | C7H4ClNO |
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| Durchschnittliche Molmasse | 153,56 g/mol |
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| Monoisotopische Masse | 152,99814143 g/mol |
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| SMILES | Clc1ccc2ocnc2c1 |
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| InChIKey | VWMQXAYLHOSRKA-UHFFFAOYSA-N |
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| PubChem CID | 28398 |
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| EC No. | 626-358-3 |
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| DTXSID | DTXSID40169201 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
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| Polarare Oberfläche (TPSA) | 26 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 131 |
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| Schmelzpunkt | 42-46 °C |
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| Siedepunkt | 226.3±13.0℃ (760 torr) |
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| Dichte | 1.377±0.06 g/cm3 (20 ºC 760 Torr) |
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| Brechungsindex | 1.5618 (estimate) |
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| Flammpunkt | 90.7±19.8℃ |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | powder to lump |
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| pKa (Säurekonstante) | -0.85±0.10(Predicted) |
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| Farbe | White to Orange to Green |
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| InChI | 1S/C7H4ClNO/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H |
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| InChIKey | VWMQXAYLHOSRKA-UHFFFAOYSA-N |
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| SMILES | Clc1ccc2ocnc2c1 |
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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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29349990 |
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| RTECS-Nr. | DM4690000 |
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| R-Sätze (R) | 22-36/37/38 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 26 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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