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5-Methyl-1,3-benzodioxol
3,4-(METHYLENEDIOXY)TOLUENE · ai3-20481 · TIMTEC-BB SBB008152 · 5-methyl-3-benzodioxole · 5-METHYL-1,3-BENZODIOXOLE · 3,4-methylenedioxy-toluen · 1,3-Benzodioxole, 5-methyl- · 5-Methylbenzo[d][1,3]dioxole
Identifikatoren & physikalische Daten
| CAS No. | 7145-99-5 |
|---|---|
| Summenformel | C8H8O2 |
| Durchschnittliche Molmasse | 136,15 g/mol |
| Monoisotopische Masse | 136,0524295 g/mol |
| SMILES | Cc1ccc2c(c1)OCO2 |
| InChIKey | GHPODDMCSOYWNE-UHFFFAOYSA-N |
| PubChem CID | 81564 |
| EC No. | 230-453-1 |
| DTXSID | DTXSID90221641 |
| Lokaler Name | 5-Methyl-1,3-benzodioxol |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 124 |
| Siedepunkt | 199-200 °C (lit.) |
| Dichte | 1.135 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.532(lit.) |
| Flammpunkt | 169 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | liquid |
| InChI | 1S/C8H8O2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-4H,5H2,1H3 |
| InChIKey | GHPODDMCSOYWNE-UHFFFAOYSA-N |
| SMILES | Cc1ccc2OCOc2c1 |
| CAS Datenbank | 7145-99-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| RTECS-Nr. | DF4921090 |
| R-Sätze (R) | 22-41 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1 |
Anwendungen & Verwendung
Verwenden
3,4-(Methylenedioxy)toluene can be used as a cation scavenger for the selective cleavage of 4-(3,4-dimethoxyphenyl)benzyl (DMPBn) ethers affording the corresponding deprotected products in the presence of trifluoroacetic acid (TFA) in anhydrous CH2Cl2.It can also be used as a starting material to prepare: 1,3-Benzodioxole-5-carboxaldehyde via photooxidation using CBr4. 6-Methyl-1,3-benzodioxole-5-carboxaldehyde by treating with dichloromethylmethyl ether and TiCl4.