HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3770848Erstellt: 23. Oktober 2026
(4-Bromo-2-fluorophenyl)methanamine
(4-BroMo-2-fluorophenyl)MethanaMine · MINA-002 · TIMTEC-BB SBB005778 · RARECHEM AL BW 0772 · 4-Bromo-2-fluorobenzylamine · 2-FLUORO-4-BROMOBENZYL AMINE · 4-Bromo-2-fluorobenzylamine,99% · 2-Fluoro-4-Bromobenzylamine HCl
https://huagongshe.com/de/chemical/3770848
Identifikatoren & physikalische Daten
| CAS No. | 112734-22-2 |
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| Summenformel | C7H7BrFN |
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| Durchschnittliche Molmasse | 204,04 g/mol |
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| Monoisotopische Masse | 202,97458954 g/mol |
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| SMILES | NCc1ccc(Br)cc1F |
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| InChIKey | RLTFBWCBGIZCDQ-UHFFFAOYSA-N |
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| PubChem CID | 3770848 |
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| EC No. | 642-674-4 |
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| DTXSID | DTXSID00396192 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
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| Polarare Oberfläche (TPSA) | 26 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 110 |
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| Siedepunkt | 244.5±25.0 °C(Predicted) |
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| Dichte | 1.571±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
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| pKa (Säurekonstante) | 8.43±0.10(Predicted) |
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| Aggregatzustand | Liquid |
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| Wichte | 1.58 |
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| Farbe | Clear colorless to slightly yellow |
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| InChI | InChI=1S/C7H7BrFN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2 |
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| InChIKey | RLTFBWCBGIZCDQ-UHFFFAOYSA-N |
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| SMILES | C1(CN)=CC=C(Br)C=C1F |
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| CAS Datenbank | 112734-22-2(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 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 | Acute Tox. 4 (75%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| UN-Transportnummer | 2735 |
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| Zollcode | 29214900 |
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| R-Sätze (R) | 34-21/22-36 |
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| Gefahrensymbole | C,Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 45-36/37/39-26 |
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| Gefahrenklasse | 8Eye Irrit. 2 |
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| Verpackungsgruppe | Ⅲ |
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| Lagerklasse | 11 - Combustible Solids |
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