HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 74535Erstellt: 27. Oktober 2026
m-(Trifluormethyl)benzamid
TIMTEC-BB SBB002332 · m-Trifluoromethylbenzamide · à,à,à-trifluoro-m-toluamide · N-(trifluoromethyl)benzamide · 3-(Trifluoromethyl)benzamide · N-(3-Trifluoromethyl)benzamide · Benzamide, 3-(trifluoromethyl)- · 3-(Trifluoromethyl)benzamide98%
https://huagongshe.com/de/chemical/74535
Identifikatoren & physikalische Daten
| CAS No. | 1801-10-1 |
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| Summenformel | C8H6F3NO |
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| Durchschnittliche Molmasse | 189,13 g/mol |
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| Monoisotopische Masse | 189,04014847 g/mol |
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| SMILES | NC(=O)c1cccc(C(F)(F)F)c1 |
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| InChIKey | XBGXGCOLWCMVOI-UHFFFAOYSA-N |
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| PubChem CID | 74535 |
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| EC No. | 217-289-6 |
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| DTXSID | DTXSID40170913 |
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| Lokaler Name | m-(Trifluormethyl)benzamid |
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Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
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| Polarare Oberfläche (TPSA) | 43,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 202 |
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| Schmelzpunkt | 124-127 °C (lit.) |
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| Siedepunkt | 241.3±40.0℃ (760 Torr) |
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| Dichte | 1.335±0.06 g/cm3 (20 ºC 760 Torr) |
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| Flammpunkt | 99.7±27.3℃ |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 15.31±0.50(Predicted) |
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| BRN | 1955599 |
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| InChI | 1S/C8H6F3NO/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H2,12,13) |
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| InChIKey | XBGXGCOLWCMVOI-UHFFFAOYSA-N |
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| SMILES | NC(=O)c1cccc(c1)C(F)(F)F |
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| CAS Datenbank | 1801-10-1(CAS DataBase Reference) |
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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 5 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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| Zollcode | 2924297099 |
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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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| Gefahrenklasse | IRRITANT |
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| Lagerklasse | 11 - Combustible Solids |
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