HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Methylnicotinic acid
2-METHYLPYRIDINE-3-CARBOXYLIC ACID · TIMTEC-BB SBB004196 · 2-Methylnicotin Acid · 2-METHYLNICOTINIC ACID · 2-Methylnicotinnic acid · 2-MethylnicotinicAcid>2-Methylnicotinic acid,98+% · 2-Picoline-3-carboxylic Acid · 2-Methylnicotinic acid, 98+% 1GR
Identifikatoren & physikalische Daten
| CAS No. | 3222-56-8 |
|---|---|
| Summenformel | C7H7NO2 |
| Durchschnittliche Molmasse | 137,14 g/mol |
| Monoisotopische Masse | 137,04767846 g/mol |
| SMILES | Cc1ncccc1C(=O)O |
| InChIKey | HNTZKNJGAFJMHQ-UHFFFAOYSA-N |
| PubChem CID | 643373 |
| EC No. | 628-913-5 |
| DTXSID | DTXSID30349156 |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 136 |
| Schmelzpunkt | 228-230 °C (dec.)(lit.) |
| Siedepunkt | 280.4±20.0 °C(Predicted) |
| Dichte | 1.230±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| pKa (Säurekonstante) | 1.95±0.10(Predicted) |
| Aggregatzustand | Powder or Crystalline |
| Farbe | Off-white to light brown |
| BRN | 114333 |
| InChI | InChI=1S/C7H7NO2/c1-5-6(7(9)10)3-2-4-8-5/h2-4H,1H3,(H,9,10) |
| InChIKey | HNTZKNJGAFJMHQ-UHFFFAOYSA-N |
| SMILES | C1(C)=NC=CC=C1C(O)=O |
| CAS Datenbank | 3222-56-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 3-Pyridinecarboxylic acid, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Nicotinic acid (NN429250) derivative.