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1,3,3-Trimethyl-2-methyleneindoline
FISCHER BASE · 2-METHYLENE-1,3,3-TRIMETHYLINDOLINE · NSC 66176 · FISCHERS BASE · FISCHER'S BASE · Trimethyl base · fischer’smethylenebase · Fischer'S methylene base
Identifikatoren & physikalische Daten
| CAS No. | 118-12-7 |
|---|---|
| Summenformel | C12H15N |
| Durchschnittliche Molmasse | 173,25 g/mol |
| Monoisotopische Masse | 173,12044948 g/mol |
| SMILES | C=C1N(C)c2ccccc2C1(C)C |
| InChIKey | ZTUKGBOUHWYFGC-UHFFFAOYSA-N |
| PubChem CID | 8351 |
| EC No. | 204-235-1 |
| DTXSID | DTXSID8051596 |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 3,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 229 |
| Schmelzpunkt | -8 °C |
| Siedepunkt | 248 °C (lit.) |
| Dichte | 0.979 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.577(lit.) |
| Flammpunkt | 215 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | negligible |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | 2.19±0.40(Predicted) |
| Wichte | 0.98 |
| Farbe | red |
| BRN | 131162 |
| InChI | 1S/C12H15N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-8H,1H2,2-4H3 |
| InChIKey | ZTUKGBOUHWYFGC-UHFFFAOYSA-N |
| SMILES | CN1C(=C)C(C)(C)c2ccccc12 |
| CAS Datenbank | 118-12-7(CAS DataBase Reference) |
| NIST chemische Informationen | 1H-Indole, 2,3-dihydro-1,3,3-trimethyl-2-methylene-(118-12-7) |
| EPA chemische Informationen | 1H-Indole, 2,3-dihydro-1,3,3-trimethyl-2-methylene- (118-12-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.6% (1 of 165) of reports.WarningH302 (97%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 165 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1H-Indole, 2,3-dihydro-1,3,3-trimethyl-2-methylene-1,3,3-Trimethyl-2-methyleneindoline: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (97%) |
| F | 23 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3082 9/PG 3 |
| Zollcode | 29339990 |
| RTECS-Nr. | NM1926500 |
| R-Sätze (R) | 22-38-50/53 |
| Gefahrensymbole | Xn,N |
| Sicherheitshinweise (S) | 28-60-61-57-37 |
| Gefahrenklasse | 9Acute Tox. 4 OralAquatic Acute 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Reactant for:Cycloaddition reactionsPreparation of red photochromic dyesSynthesis of photochromic homopolymers via ring-opening metathesis polymerization