HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 9817Erstellt: 27. Oktober 2026
3-Brom-α,α,α-trifluortoluol
1-BROMO-3-(TRIFLUOROMETHYL)BENZENE · M-BROMOBENZOTRIFLUORIDE · 3-BromobenzotrifL · 3-Benzotrifluoride · 3-Bromobenzofluride · 3-Bromobenzotrifluor · 3-Brombenzotrifluorid · 3-brombenzotrifluoride
https://huagongshe.com/de/chemical/9817
Identifikatoren & physikalische Daten
| CAS No. | 401-78-5 |
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| Summenformel | C7H4BrF3 |
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| Durchschnittliche Molmasse | 225,01 g/mol |
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| Monoisotopische Masse | 223,94484689 g/mol |
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| SMILES | FC(F)(F)c1cccc(Br)c1 |
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| InChIKey | NNMBNYHMJRJUBC-UHFFFAOYSA-N |
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| PubChem CID | 9817 |
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| EC No. | 206-932-6 |
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| DTXSID | DTXSID1059947 |
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| Lokaler Name | 3-Brom-α,α,α-trifluortoluol |
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Chemische & physikalische Eigenschaften
| XLogP | 4 |
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| Polarare Oberfläche (TPSA) | 0 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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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 | 132 |
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| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
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| Schmelzpunkt | 1°C |
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| Siedepunkt | 151-152 °C(lit.) |
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| Dichte | 1.613 g/mL at 25 °C(lit.) |
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| Brechungsindex | n20/D 1.473(lit.) |
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| Flammpunkt | 110 °F |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | Liquid |
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| Wichte | 1.613 |
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| Farbe | Clear colorless to slightly yellow |
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| BRN | 1449557 |
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| InChI | InChI=1S/C7H4BrF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H |
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| InChIKey | NNMBNYHMJRJUBC-UHFFFAOYSA-N |
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| SMILES | C1(Br)=CC=CC(C(F)(F)F)=C1 |
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| CAS Datenbank | 401-78-5(CAS DataBase Reference) |
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| NIST chemische Informationen | Benzene, 1-bromo-3-(trifluoromethyl)-(401-78-5) |
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| EPA chemische Informationen | 3-Bromobenzotrifluoride (401-78-5) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Benzene, 1-bromo-3-(trifluoromethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN 1993 3/PG 3 |
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| Zollcode | 29036990 |
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| RTECS-Nr. | XS7970000 |
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| R-Sätze (R) | 10-36/37/38 |
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| Gefahrensymbole | Xi,F |
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| hazard_note | Flammable |
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| Sicherheitshinweise (S) | 23-24/25-37/39-26-16-36 |
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| Gefahrenklasse | 3Flam. Liq. 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 3 - Flammable liquids |
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