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HCID 29510Erstellt: 27. Oktober 2026
5-Chlor-2-methylbenzoxazol
2-Methyl-5-chloro · Chloro-2-methylbenzoxazole · 2-methyl-5-chlor bezoxazole · 2-METHY-5-CHLOROBENZOXAZOLE · 5-CHLORO-2-METHYLBENZOXAZOLE · 5 CHLORO 2-METHYL BENZOXAZOL · 2-METHYL-5-CHLORO BENZOXAZOLE · 5-Chloro-2-methylbenzooxazole
https://huagongshe.com/de/chemical/29510
Identifikatoren & physikalische Daten
| CAS No. | 19219-99-9 |
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| Summenformel | C8H6ClNO |
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| Durchschnittliche Molmasse | 167,59 g/mol |
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| Monoisotopische Masse | 167,01379149 g/mol |
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| SMILES | Cc1nc2cc(Cl)ccc2o1 |
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| InChIKey | HJCIGAUHTJBHBQ-UHFFFAOYSA-N |
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| PubChem CID | 29510 |
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| EC No. | 242-888-4 |
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| DTXSID | DTXSID8051831 |
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| Lokaler Name | 5-Chlor-2-methylbenzoxazol |
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Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
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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 | 11 |
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| Formalladung | 0 |
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| Komplexität | 153 |
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| Schmelzpunkt | 55-57 °C(lit.) |
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| Siedepunkt | 218-220 °C(lit.) |
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| Dichte | 1.2295 (rough estimate) |
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| Brechungsindex | 1.5430 (estimate) |
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| Lagerbedingungen | Sealed in dry,2-8°C |
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| pKa (Säurekonstante) | -0.45±0.10(Predicted) |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Gray to Brown |
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| InChI | InChI=1S/C8H6ClNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3 |
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| InChIKey | XVQGFGKAPKEUFT-UHFFFAOYSA-N |
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| SMILES | O1C2=CC=C(Cl)C=C2N=C1C |
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| CAS Datenbank | 19219-99-9(CAS DataBase Reference) |
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| EPA chemische Informationen | Benzoxazole, 5-chloro-2-methyl- (19219-99-9) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | 5-Chloro-2-methylbenzoxazole: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Acute Tox. 4 (95.1%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN 1759 8/PG 2 |
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| Zollcode | 29349990 |
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| RTECS-Nr. | DM4790000 |
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| R-Sätze (R) | 20/21/22-34-36/37/38-37/38-36 |
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| Gefahrensymbole | C,Xi |
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| Sicherheitshinweise (S) | 26-27-36/37/39-45-36/39 |
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| Gefahrenklasse | 8 |
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| Verpackungsgruppe | III |
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