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2,4-Difluortoluol
2,4-Difluorobenzyl · difluorotoluene · 2,4-DIFLUOROTOLUNE · 2,4-DIFLUOROTOLUINE · 2,4-DIFLUOROTOLUENE · 2,4-Difluorotoluene99% · 2,4-Difluorotoluene 99% · 2,4-Difluorotoluene, 98+%
Identifikatoren & physikalische Daten
| CAS No. | 452-76-6 |
|---|---|
| Summenformel | C7H6F2 |
| Durchschnittliche Molmasse | 128,12 g/mol |
| Monoisotopische Masse | 128,04375663 g/mol |
| SMILES | Cc1ccc(F)cc1F |
| InChIKey | MPXDAIBTYWGBSL-UHFFFAOYSA-N |
| PubChem CID | 67983 |
| EC No. | 207-211-9 |
| DTXSID | DTXSID70196429 |
| Lokaler Name | 2,4-Difluortoluol |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 92,9 |
| Stoffklassen | Other Classes -> Halogenated Monoaromatics |
| SpringerMaterials Properties | Hindering potential |
| Physical Description | Colorless liquid with an aromatic odor[Alfa Aesar MSDS] |
| Schmelzpunkt | -35 °C |
| Siedepunkt | 113-117 °C (lit.) |
| Dichte | 1.12 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.449(lit.) |
| Flammpunkt | 59 °F |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Aggregatzustand | Liquid |
| Wichte | 1.120 |
| Farbe | Clear colorless |
| BRN | 1931681 |
| InChI | InChI=1S/C7H6F2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3 |
| InChIKey | MPXDAIBTYWGBSL-UHFFFAOYSA-N |
| SMILES | C1(C)=CC=C(F)C=C1F |
| CAS Datenbank | 452-76-6(CAS DataBase Reference) |
| NIST chemische Informationen | 2,4-Difluorotoluene(452-76-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Benzene, 2,4-difluoro-1-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Highly flammableA skin and strong eye irritant[Alfa Aesar MSDS] See Toluene. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 2 |
| Zollcode | 29039990 |
| R-Sätze (R) | 11 |
| Gefahrensymbole | F,F+ |
| hazard_note | Flammable |
| Sicherheitshinweise (S) | 16-29-33 |
| Gefahrenklasse | 3Flam. Liq. 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2,4-Difluorotoluene was used in the synthesis of new hydrophobic isosteres of pyrimidines and purine nucleosides.