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HCID 67656Erstellt: 24. Oktober 2026
5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester
ETHYL 2-AMINO-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLATE · NSC 4465 · AKOS B029496 · BUTTPARK 11\03-53 · TIMTEC-BB SBB005528 · Ethyl 2-amino-4-(trifluoromethyl) · Ethyl-2-amino-4-trifluoromethylthiazolecarboxylate · 2-AMINO-4-(TRIFLUOROMETHYL)-5-(CARBETHOXY)THIAZOLE
https://huagongshe.com/de/chemical/67656
Identifikatoren & physikalische Daten
| CAS No. | 344-72-9 |
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| Summenformel | C7H7F3N2O2S |
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| Durchschnittliche Molmasse | 240,21 g/mol |
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| Monoisotopische Masse | 240,01803312 g/mol |
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| SMILES | CCOC(=O)c1sc(N)nc1C(F)(F)F |
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| InChIKey | XJRPTMORGOIMMI-UHFFFAOYSA-N |
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| PubChem CID | 67656 |
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| ChEMBL | CHEMBL1890274 |
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| EC No. | 670-625-7 |
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| DTXSID | DTXSID0051491 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
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| Polarare Oberfläche (TPSA) | 93,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 8 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 249 |
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| Collision Cross Section | 140.9 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID0051491] |
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| Schmelzpunkt | 170 °C |
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| Siedepunkt | 81.4°C (rough estimate) |
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| Dichte | 1.479 |
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| Lagerbedingungen | 2-8°C, protect from light |
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| pKa (Säurekonstante) | 0.08±0.10(Predicted) |
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| CAS Datenbank | 344-72-9(CAS DataBase Reference) |
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| EPA chemische Informationen | 5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester (344-72-9) |
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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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 2934100090 |
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| R-Sätze (R) | 36/37/38 |
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| Toxizität | LDLo ivn-mus: 75 mg/kg CBCCT* 6,142,54 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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| Gefahrenklasse | IRRITANT |
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