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3-Methylbiphenyl
FEMA 3186 · 3-METHYL-1,1'-BIPHENYL · m-Phenyltoluene · 3-PHENYLTOLUENE · 3-Methylbipheny · 3-METHYLDIPHENYL · 3-METHYLBIPHENYL · m-Methylbiphenyl
Identifikatoren & physikalische Daten
| CAS No. | 643-93-6 |
|---|---|
| Summenformel | C13H12 |
| Durchschnittliche Molmasse | 168,23 g/mol |
| Monoisotopische Masse | 168,09390038 g/mol |
| SMILES | Cc1cccc(-c2ccccc2)c1 |
| InChIKey | NPDIDUXTRAITDE-UHFFFAOYSA-N |
| PubChem CID | 12564 |
| EC No. | 211-404-3 |
| DTXSID | DTXSID4060941 |
| Lokaler Name | 3-Methylbiphenyl |
Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 144 |
| Stoffklassen | Other Classes -> Aromatic Hydrocarbons |
| SpringerMaterials Properties | Density |
| Dampfdruck | 0.00796 [mmHg] |
| Physical Description | Liquidmp = 4-5 deg C[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 4-5 °C(lit.) |
| Siedepunkt | 272 °C(lit.) |
| Dichte | 1.018 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.602(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Wichte | 1.01 |
| Farbe | Clear light yellow |
| BRN | 2039658 |
| Henry-Konstante | 1.5×10-2 mol/(m3Pa) at 25℃, Hilal et al. (2008) |
| InChI | 1S/C13H12/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-10H,1H3 |
| InChIKey | NPDIDUXTRAITDE-UHFFFAOYSA-N |
| SMILES | Cc1cccc(c1)-c2ccccc2 |
| LogP (Verteilungskoeffizient) | 4.634 (est) |
| CAS Datenbank | 643-93-6(CAS DataBase Reference) |
| NIST chemische Informationen | 1,1'-Biphenyl, 3-methyl-(643-93-6) |
| EPA chemische Informationen | 3-Methylbiphenyl (643-93-6) |
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 37 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 1,1'-Biphenyl, 3-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] See Biphenyl. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29029090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3-Methyl-1,1''biphenyl is a useful reagent for organic and pharmaceutical synthesis.