HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Methylpyridine-4-carboxylic acid
4021/11/8 · METHYLISONICOTINIC ACID(2-) · 2-METHYLPYRIDINE-4-CARBOXYLIC ACID · pyridine-4-carboxyL · 2-METHYLISONICOTINIC ACID · 2-Methyl-4-carboxylpyridine · 2-Methylisonicotinic Acid >2-Methylpyridine-4-carboxylicaci · 4-Pyridinecarboxylic acid, 2-methyl-
Identifikatoren & physikalische Daten
| CAS No. | 4021-11-8 |
|---|---|
| Summenformel | C7H7NO2 |
| Durchschnittliche Molmasse | 137,14 g/mol |
| Monoisotopische Masse | 137,04767846 g/mol |
| SMILES | Cc1cc(C(=O)O)ccn1 |
| InChIKey | PMDHIMMPXRSDML-UHFFFAOYSA-N |
| PubChem CID | 2762821 |
| EC No. | 628-206-1 |
| DTXSID | DTXSID30376482 |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| 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 | 295-299 °C (D) |
| Siedepunkt | 368.2±22.0 °C(Predicted) |
| Dichte | 1.230±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 2.02±0.10(Predicted) |
| Farbe | White to Almost white |
| InChI | InChI=1S/C7H7NO2/c1-5-4-6(7(9)10)2-3-8-5/h2-4H,1H3,(H,9,10) |
| InChIKey | PMDHIMMPXRSDML-UHFFFAOYSA-N |
| SMILES | C1(C)=NC=CC(C(O)=O)=C1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.8%): 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 45 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (97.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Methylpyridine-4-carboxylic acid is an important raw material and intermediate used in pharmaceuticals, agrochemicals and dyestuff.