6-Chlor-2-methylpyridin
6-CHLORO-ALPHA-PICOLINE · C234 · 6-CH · 6-Chloropicoline · 2-CHLORO-6-PICOLINE · 6-CHLORO-2-PICOLINE · 2-Chloro-6-Pilcoline · 2-Picoline, 6-chloro-
Identifikatoren & physikalische Daten
| CAS No. | 18368-63-3 |
|---|---|
| Summenformel | C6H6ClN |
| Durchschnittliche Molmasse | 127,57 g/mol |
| Monoisotopische Masse | 127,0188769 g/mol |
| SMILES | Cc1cccc(Cl)n1 |
| InChIKey | GXZDYRYYNXYPMQ-UHFFFAOYSA-N |
| PubChem CID | 87601 |
| EC No. | 242-241-6 |
| DTXSID | DTXSID0022272 |
| Lokaler Name | 6-Chlor-2-methylpyridin |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 74 |
| Siedepunkt | 64-68 °C10 mm Hg(lit.) |
| Dichte | 1.167 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.527(lit.) |
| Flammpunkt | 165 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 1.10±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow |
| Wichte | 1.167 |
| BRN | 107187 |
| InChI | InChI=1S/C6H6ClN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3 |
| InChIKey | GXZDYRYYNXYPMQ-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC(C)=CC=C1 |
| CAS Datenbank | 18368-63-3(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Cl-6-(CH3)-pyridine(18368-63-3) |
| EPA chemische Informationen | Pyridine, 2-chloro-6-methyl- (18368-63-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (14.9%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (14.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (14.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (97.9%): 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+P351+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 47 reports by companies from 7 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 | Acute Tox. 4 (14.9%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN2810 |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-36/37/39 |
| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Beschreibung
2-Chloro-6-methylpyridine (2C6MP) is a strong inhibitor of methane monooxygenase, a key enzyme in the aerobic oxidation of methane (CH4). It belongs to the pesticide nitropyridine group of compounds. Studies have shown that 2C6MP has the least effect on CH4 oxidation at concentrations of 0.1 mM and 1 mM, but at a concentration of 10 mM, 2C6MP inhibits CH4 oxidation for >20 months. Low concentrations of 2C6MP did not inhibit Methylophilaceae, while high concentrations of 2C6MP inhibited Methylophilaceae by only 7.8 ± 1.1%[1].
Verwenden
2-Chloro-6-methylpyridine has been used for experimental FTIR and FT-Raman spectroscopic analyses, as well as for conformational studies.