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2,3-Dimethyl-1H-indol
2,3-DIMETHYL-1H-INDOLE · 1H-Indole, 2,3-dimethyl- · NSC 24936 · 2,3-dimethyl-indol · 2,3-DIMETHYLINDOLE · 2,3-DIMETHYLINDOLINE · 2.3.3-Trimethyl-6,7- · Indole, 2,3-dimethyl-
Identifikatoren & physikalische Daten
| CAS No. | 91-55-4 |
|---|---|
| Summenformel | C10H11N |
| Durchschnittliche Molmasse | 145,2 g/mol |
| Monoisotopische Masse | 145,08914936 g/mol |
| SMILES | Cc1[nH]c2ccccc2c1C |
| InChIKey | PYFVEIDRTLBMHG-UHFFFAOYSA-N |
| PubChem CID | 7053 |
| ChEMBL | CHEMBL3252119 |
| EC No. | 202-076-2 |
| DTXSID | DTXSID6059027 |
| Lokaler Name | 2,3-Dimethyl-1H-indol |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 15,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 144 |
| Dampfdruck | 0.00179 [mmHg] |
| Physical Description | White crystalline solid[Alfa Aesar MSDS] |
| Kovats Retention Index | 1490.31476148414991477.21507.4257.32255.4825022539 |
| Schmelzpunkt | 105-107 °C (lit.) |
| Siedepunkt | 285 °C (lit.) |
| Dichte | 1.0641 (estimate) |
| Brechungsindex | 1.6030 (estimate) |
| Flammpunkt | 285°C/750mm |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| pKa (Säurekonstante) | 17.87±0.30(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Amber |
| BRN | 116662 |
| InChI | InChI=1S/C10H11N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,11H,1-2H3 |
| InChIKey | PYFVEIDRTLBMHG-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2)C(C)=C1C |
| CAS Datenbank | 91-55-4(CAS DataBase Reference) |
| NIST chemische Informationen | 1H-Indole, 2,3-dimethyl-(91-55-4) |
| EPA chemische Informationen | 1H-Indole, 2,3-dimethyl- (91-55-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | 1H-Indole, 2,3-dimethyl-: 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[Alfa Aesar MSDS] See 3-Methylindole. |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (50%)Eye Irrit. 2A (50%)STOT SE 3 (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29339900 |
| RTECS-Nr. | NL7185000 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,3-Dimethylindole has been used to study the mechanism of oxidation of 2,3-dimethylindole by peroxodisulphate and peroxomonosulphate anions to 2-methylindole-2-carbaldehyde. It has been used to study the behaviour of methylindoles in the agilent multimode ion source by atmospheric pressure chemical ionization mass spectrometry.