HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 4452239Erstellt: 3. November 2026
7-Chloro-2-mercaptobenzoxazole
Nsc77358 · 7-chlorobenzo[d]oxazole-2-thiol · 7-Chlorobenzoxazole-2(3H)-thione · 7-Chloro-2-mercaptobenzoxazole 97 · 2(3H)-Benzoxazolethione, 7-chloro- · 7-chloro-3H-1,3-benzoxazole-2-thione · 7-Chlorobenzo[d]oxazole-2(3H)-thione
https://huagongshe.com/de/chemical/4452239
Identifikatoren & physikalische Daten
| CAS No. | 51793-93-2 |
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| Summenformel | C7H4ClNOS |
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| Durchschnittliche Molmasse | 185,63 g/mol |
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| Monoisotopische Masse | 184,9702126 g/mol |
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| SMILES | S=c1[nH]c2cccc(Cl)c2o1 |
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| InChIKey | XXRDNTGJMQMSLW-UHFFFAOYSA-N |
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| PubChem CID | 4452239 |
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| ChEMBL | CHEMBL4858265 |
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| EC No. | 623-525-2 |
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| DTXSID | DTXSID20403433 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
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| Polarare Oberfläche (TPSA) | 53,4 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 187 |
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| Schmelzpunkt | 252-256 °C (lit.) |
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| Lagerbedingungen | Store at room temperature |
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| InChI | 1S/C7H4ClNOS/c8-4-2-1-3-5-6(4)10-7(11)9-5/h1-3H,(H,9,11) |
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| InChIKey | XXRDNTGJMQMSLW-UHFFFAOYSA-N |
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| SMILES | Sc1nc2cccc(Cl)c2o1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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