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3-Methylpicolinic acid
3-METHYLPICOLINIC ACID · Methylpicolinicacid · RARECHEM AL BO 0827 · 3-Methylpicoline Acid · 3-METHYL-A-PICOLINIC ACID · 3-Methyl-2-picolinic acid · 3-Methylpicolinic acid,98% · 3-METHYLPICOLINIC ACID 97%
Identifikatoren & physikalische Daten
| CAS No. | 4021-07-2 |
|---|---|
| Summenformel | C7H7NO2 |
| Durchschnittliche Molmasse | 137,14 g/mol |
| Monoisotopische Masse | 137,04767846 g/mol |
| SMILES | Cc1cccnc1C(=O)O |
| InChIKey | LMHIBYREWJHKNZ-UHFFFAOYSA-N |
| PubChem CID | 268757 |
| ChEMBL | CHEMBL3229438 |
| ChEBI | CHEBI:194858 |
| EC No. | 626-781-3 |
| DTXSID | DTXSID20296408 |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| 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 | 114-118 °C |
| Siedepunkt | 300.6±22.0 °C(Predicted) |
| Dichte | 1.230±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 1.11±0.50(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to tan |
| InChI | InChI=1S/C7H7NO2/c1-5-3-2-4-8-6(5)7(9)10/h2-4H,1H3,(H,9,10) |
| InChIKey | LMHIBYREWJHKNZ-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)=NC=CC=C1C |
| CAS Datenbank | 4021-07-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (18.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 53 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (18.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333990 |
| 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
3-Methylpyridine-2-carboxylic acid (3-MepicH) may be used as a ligand in the synthesis of the following metal complexes:[Cu(3-Mepic)2(4-pic)] where 4-pic=4-picoline and [Cu(3-Mepic)2]·2H2O[Co(3-Mepic)3][Ni(3-Mepic)2(H2O)2]bis(3-methyl-picolinato-κ2 N,O)(1,10-phenanthroline)zinc(II) tetrahydrate