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Benzaldehyde, 3,5-dimethyl-
Benzaldehyde, 3,5-dimethyl- · 3,5-DIMETHYLBENZALDEHYDE · M-XYLENE-5-CARBOXALDEHYDE · 3,5-Dimethylbenzaldehyde>3,5-DIMETHYLBENZALDEHYDE 99+% · 3,5-Dimethylbenzaldehyde, 97+% · 3,5-Dimethylbenzaldehyde, 98+%
Identifikatoren & physikalische Daten
| CAS No. | 5779-95-3 |
|---|---|
| Summenformel | C9H10O |
| Durchschnittliche Molmasse | 134,17 g/mol |
| Monoisotopische Masse | 134,07316494 g/mol |
| SMILES | Cc1cc(C)cc(C=O)c1 |
| InChIKey | NBEFMISJJNGCIZ-UHFFFAOYSA-N |
| PubChem CID | 34225 |
| ChEBI | CHEBI:231520 |
| EC No. | 675-424-8 |
| DTXSID | DTXSID00206484 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 110 |
| Stoffklassen | Other Classes -> Benzaldehydes |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| Schmelzpunkt | 8-10 °C |
| Siedepunkt | 232 °C (lit.) |
| Dichte | 0.998 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.538(lit.) |
| Flammpunkt | 210 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow to Light orange |
| Löslichkeit | Not miscible with water. |
| BRN | 2038840 |
| Henry-Konstante | 1.2×100 mol/(m3Pa) at 25℃, Wang et al. (2017) |
| InChI | InChI=1S/C9H10O/c1-7-3-8(2)5-9(4-7)6-10/h3-6H,1-2H3 |
| InChIKey | NBEFMISJJNGCIZ-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC(C)=CC(C)=C1 |
| LogP (Verteilungskoeffizient) | 2.560 (est) |
| CAS Datenbank | 5779-95-3(CAS DataBase Reference) |
| NIST chemische Informationen | Benzaldehyde, 3,5-dimethyl-(5779-95-3) |
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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | May cause irritation[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29122990 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3,5-Dimethylbenzaldehyde is used to produce 2,3-bis-(3,5-dimethyl-phenyl)-succinonitrile by heating along with reagent NaCN and solvent H2O, methanol.