HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 19345Erstellt: 27. Oktober 2026
5-Amino-2-(trifluoromethyl)benzimidazole
MFCD11983037 · TIMTEC-BB SBB010090 · 5-AMINO-2-(TRIFLUOROMETHYL)BENZIMIDAZOLE · 5-amino-2-(trifluoromethyl)-benzimidazol · 2-(trifluoromethyl)-1h-benzimidazol-5-amin · 2-(trifluoromethyl)-3H-benzimidazol-5-amine · BENZIMIDAZOLE, 5-AMINO-2-(TRIFLUOROMETHYL)- · 5-Amino-2-(trifluoromethyl)-1H-benzimidazole
https://huagongshe.com/de/chemical/19345
Identifikatoren & physikalische Daten
| CAS No. | 3671-66-7 |
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| Summenformel | C8H6F3N3 |
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| Durchschnittliche Molmasse | 201,15 g/mol |
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| Monoisotopische Masse | 201,05138185 g/mol |
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| SMILES | Nc1ccc2nc(C(F)(F)F)[nH]c2c1 |
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| InChIKey | CKEKFQLHCAZGSP-UHFFFAOYSA-N |
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| PubChem CID | 19345 |
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| ChEMBL | CHEMBL1625689 |
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| EC No. | 625-229-9 |
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| DTXSID | DTXSID00190172 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
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| Polarare Oberfläche (TPSA) | 54,7 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 218 |
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| Schmelzpunkt | 185-189 °C (lit.) |
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| Siedepunkt | 353.1±42.0 °C(Predicted) |
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| Dichte | 1.536±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C, protect from light |
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| pKa (Säurekonstante) | 11.43±0.10(Predicted) |
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| Aggregatzustand | crystalline solid |
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| Farbe | Brown |
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| InChI | 1S/C8H6F3N3/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3H,12H2,(H,13,14) |
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| InChIKey | CKEKFQLHCAZGSP-UHFFFAOYSA-N |
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| SMILES | Nc1ccc2[nH]c(nc2c1)C(F)(F)F |
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| CAS Datenbank | 3671-66-7(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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. 3 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 2811 6.1/PG 3 |
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| Zollcode | 2933998090 |
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| RTECS-Nr. | DD6205700 |
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| R-Sätze (R) | 25-36/37/38 |
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| Gefahrensymbole | T |
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| hazard_note | Toxic |
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| Sicherheitshinweise (S) | 26-36/37/39-45 |
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| Gefahrenklasse | 6.1Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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