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2,7-Dimethylnaphthalin
Trofinetide Impurity 1 · 2,7-Dimethyl-phthalene · 2,7-Dimcthylnaphthaline · 2,7-Dimethylnaphthalene · 2,7-DIMETHYLNAPTHTHALENE · naphthalene,2,7-dimethyl- · 2,7-Dimethylnaphthalene,99% · 2,7-Dimethylnaphthalene >2,7-Dimethylnaphthalene 99%
Identifikatoren & physikalische Daten
| CAS No. | 582-16-1 |
|---|---|
| Summenformel | C12H12 |
| Durchschnittliche Molmasse | 156,22 g/mol |
| Monoisotopische Masse | 156,09390038 g/mol |
| SMILES | Cc1ccc2ccc(C)cc2c1 |
| InChIKey | LRQYSMQNJLZKPS-UHFFFAOYSA-N |
| PubChem CID | 11396 |
| ChEMBL | CHEMBL195036 |
| ChEBI | CHEBI:48632 |
| EC No. | 209-477-1 |
| DTXSID | DTXSID7060386 |
| Lokaler Name | 2,7-Dimethylnaphthalin |
Chemische & physikalische Eigenschaften
| XLogP | 4,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 134 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 4.37 |
| Collision Cross Section | 129.5 Ų [M+H]+ |
| Schmelzpunkt | 94-97 °C (lit.) |
| Siedepunkt | 263 °C (lit.) |
| Dichte | 1.0030 |
| Brechungsindex | 1.5956 (estimate) |
| Flammpunkt | 262-264°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| BRN | 1852737 |
| Henry-Konstante | 2.1×10-2 mol/(m3Pa) at 25℃, Schröder et al. (2013) |
| InChI | 1S/C12H12/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3-8H,1-2H3 |
| InChIKey | LRQYSMQNJLZKPS-UHFFFAOYSA-N |
| SMILES | Cc1ccc2ccc(C)cc2c1 |
| LogP (Verteilungskoeffizient) | 4.447 (est) |
| CAS Datenbank | 582-16-1(CAS DataBase Reference) |
| EPA chemische Informationen | 2,7-Dimethylnaphthalene (582-16-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.Not ClassifiedAggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2902900000 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,7-Dimethylnaphthalene was used in the preparation of 2,7-bisbromomethylnapthalene via bromination with N-bromosuccinimide.