HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Pyridinecarboxaldehyde, 2-amino-
2-AMINONICOTINALDEHYDE · 2-AMINO-PYRIDINE-3-CARBALDEHYDE · 3-PYRIDINECARBOXALDEHYDE, 2-AMINO- · 3-formylpyridin-2-amine · 2-AMINO-3-FORMYLPYRIDINE · 2-aminonicotinaldehyde 1 · 2-Aminonicotinaldehyde 99% · 2-Aminonicotinaldehyde >2-Aminopyridine-3-carboxaL
Identifikatoren & physikalische Daten
| CAS No. | 7521-41-7 |
|---|---|
| Summenformel | C6H6N2O |
| Durchschnittliche Molmasse | 122,12 g/mol |
| Monoisotopische Masse | 122,04801282 g/mol |
| SMILES | Nc1ncccc1C=O |
| InChIKey | NXMFJCRMSDRXLD-UHFFFAOYSA-N |
| PubChem CID | 737633 |
| EC No. | 626-730-5 |
| DTXSID | DTXSID20226184 |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 56 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 105 |
| Schmelzpunkt | 98-102 °C (lit.) |
| Siedepunkt | 290.7±25.0 °C(Predicted) |
| Dichte | 1.264±0.06 g/cm3(Predicted) |
| Flammpunkt | >300℃ |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in Ether, Ethyl acetate, Chloroform (Slightly), Methanol (Slightly)insoluble |
| pKa (Säurekonstante) | 4.99±0.36(Predicted) |
| Aggregatzustand | Powder, Crystals and/or Chunks |
| Farbe | Yellow to light brown |
| BRN | 109598 |
| InChI | InChI=1S/C6H6N2O/c7-6-5(4-9)2-1-3-8-6/h1-4H,(H2,7,8) |
| InChIKey | NXMFJCRMSDRXLD-UHFFFAOYSA-N |
| SMILES | C1(N)=NC=CC=C1C=O |
| CAS Datenbank | 7521-41-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 50 reports by companies from 10 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. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (98%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-36/37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 11 - Combustible Solids |
Herstellung & Synthese
synthetische
Preparative Methods of 2-Amino-3-pyridinecarboxaldehyde: the reagent is best when freshly prepared. A multistep procedure starting from 2-amino-3- picoline has been improved upon by a simple two-step approach. Sulfamation of nicotinamide with ammonium sulfamate (both commercially available) provides 2-(3′-pyridyl)pyrido[2,3-d]pyridimine which may be hydrolyzed in 2 N HCl to provide the reagent (eq 1)[1]. Substituted derivatives of the reagent may be prepared via a similar intermediate.