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1H-Pyrrolo(2,3-b)pyridine
2,3-Dihydro-7-azaindole · 7-azaindoline · 2,3-Dihydro-7-azaindole 98% · 1H,2H,3H-pyrrolo[2,3-b]pyridine · 2,3-Dihydro-1H-pyrrolo[2,3-b]pyridine · 1H-Pyrrolo[2,3-b]pyridine, 2,3-dihydro- · 2,3-Dihydropyrrolo[2,3-b]pyridine, 97+% · 1H-Pyrrolo[2,3-b]pyridine,2,3-dihydro-(6CI,8CI,9CI)
Identifikatoren & physikalische Daten
| CAS No. | 10592-27-5 |
|---|---|
| Summenformel | C7H6N2 |
| Durchschnittliche Molmasse | 118,14 g/mol |
| Monoisotopische Masse | 118,0530982 g/mol |
| SMILES | c1cnc2[nH]ccc2c1 |
| InChIKey | MVXVYAKCVDQRLW-UHFFFAOYSA-N |
| PubChem CID | 9222 |
| ChEMBL | CHEMBL389685 |
| ChEBI | CHEBI:194830 |
| EC No. | 205-981-0 |
| DTXSID | DTXSID3075046 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 28,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 103 |
| Kovats Retention Index | 11921292220.25223.7 |
| Schmelzpunkt | 78-83 °C |
| Siedepunkt | 114°C/10mmHg(lit.) |
| Dichte | 1.23 |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | soluble in MethanolSlightly soluble in water. |
| pKa (Säurekonstante) | 10.75±0.20(Predicted) |
| Aggregatzustand | Powder |
| Farbe | White |
| InChI | 1S/C7H8N2/c1-2-6-3-5-9-7(6)8-4-1/h1-2,4H,3,5H2,(H,8,9) |
| InChIKey | ZFFYPGZDXUPKNK-UHFFFAOYSA-N |
| SMILES | C1Cc2cccnc2N1 |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 71.4% (40 of 56) of all reports.DangerH302 (19.6%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (19.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (25%): 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 56 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 40 of 56 reports by companies.There are 5 notifications provided by 16 of 56 reports by companies with hazard statement code(s).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-Pyrrolo2,3-bpyridine: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (19.6%)Skin Irrit. 2 (28.6%)Eye Dam. 1 (19.6%)STOT SE 3 (25%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 22-36 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2 |
Anwendungen & Verwendung
Verwenden
It can be used as pharmaceutical raw material and intermediate.