HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 609556Erstellt: 26. Oktober 2026
3-Amino-5-(trifluoromethyl)benzoic acid
BUTTPARK 25\01-23 · 3-AMINO-5-(TRIFLUOROMETHYL)BENZOIC ACID · 3-AMINO-5-(TRIFLUOROEMTHYL)BENZOIC ACID · 3-Amino-5-(trifluoromethyl)benzoicacid97% · Benzoic acid, 3-amino-5-(trifluoromethyl)- · 3-Amino-5-(trifluoromethyl)benzoic acid 97% · 3-Amino-5-(trifluoromethyl)benzoic Acid >3-Amino-5-(trifluoromethyl)benzoic acid USP/EP/BP · 3-Amino-5-carboxybenzotrifluoride, 3-Carboxy-5-(trifluoromethyl)aniline
https://huagongshe.com/de/chemical/609556
Identifikatoren & physikalische Daten
| CAS No. | 328-68-7 |
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| Summenformel | C8H6F3NO2 |
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| Durchschnittliche Molmasse | 205,13 g/mol |
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| Monoisotopische Masse | 205,03506309 g/mol |
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| SMILES | Nc1cc(C(=O)O)cc(C(F)(F)F)c1 |
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| InChIKey | WBTHOSZMTIPJLR-UHFFFAOYSA-N |
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| PubChem CID | 609556 |
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| ChEMBL | CHEMBL4991837 |
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| EC No. | 624-414-1 |
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| DTXSID | DTXSID30346089 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
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| Polarare Oberfläche (TPSA) | 63,3 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 229 |
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| Schmelzpunkt | 141-146 °C(lit.) |
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| Siedepunkt | 331.9±42.0 °C(Predicted) |
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| Dichte | 1.489±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 3.93±0.10(Predicted) |
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| Farbe | Light yellow to Yellow to Orange |
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| Hauptanwendungen | peptide synthesis |
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| InChI | 1S/C8H6F3NO2/c9-8(10,11)5-1-4(7(13)14)2-6(12)3-5/h1-3H,12H2,(H,13,14) |
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| InChIKey | WBTHOSZMTIPJLR-UHFFFAOYSA-N |
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| SMILES | Nc1cc(cc(c1)C(F)(F)F)C(O)=O |
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| CAS Datenbank | 328-68-7(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 47 reports by companies from 7 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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| UN-Transportnummer | UN 2811 6.1/PG 3 |
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| Zollcode | 2934999090 |
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| RTECS-Nr. | DD6205700 |
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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 | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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