HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 242829Erstellt: 25. Oktober 2026
2-Fluoro-5-methylbenzoic acid
RARECHEM AL BO 1354 · 6-FLUORO-M-TOLUIC ACID · 2-Fluoro-5-methylbenzoic acid · 2-Fluoro-5-methylbenzoicAcid>Benzoic acid, 2-fluoro-5-methyl- · 2-Fluoro-5-Methylbenzoic Acid, 97+% · 6-Fluoro-m-toluic acid, 3-Carboxy-4-fluorotoluene
https://huagongshe.com/de/chemical/242829
Identifikatoren & physikalische Daten
| CAS No. | 321-12-0 |
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| Summenformel | C8H7FO2 |
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| Durchschnittliche Molmasse | 154,14 g/mol |
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| Monoisotopische Masse | 154,04300768 g/mol |
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| SMILES | Cc1ccc(F)c(C(=O)O)c1 |
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| InChIKey | UREMNBHWTNQTMS-UHFFFAOYSA-N |
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| PubChem CID | 242829 |
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| EC No. | 630-028-4 |
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| DTXSID | DTXSID40287616 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 158 |
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| Schmelzpunkt | 160-162 °C (lit.) |
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| Siedepunkt | 259.2±20.0 °C(Predicted) |
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| Dichte | 1.258±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 3.34±0.10(Predicted) |
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| Farbe | White to Light yellow |
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| InChI | 1S/C8H7FO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11) |
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| InChIKey | UREMNBHWTNQTMS-UHFFFAOYSA-N |
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| SMILES | Cc1ccc(F)c(c1)C(O)=O |
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| CAS Datenbank | 321-12-0(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 10 reports by companies from 6 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 | 29163990 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-36/37/39-24/25 |
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| Lagerklasse | 11 - Combustible Solids |
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