HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Chlor-3-methylpyrazin
2-Chlor-3-methylpyrazin · 2-Methyl-3-chloropyrazine · 2-CHLORO-3-METHYLPYRAZINE · Pyrazine, 2-chloro-3-methyl- · 2-CHLORO-3,(5),(6)-ETHYLPYRAZINE · 2-CHLORO-3-METHYLPYRAZINE ISO 9001：2015 REACH
Identifikatoren & physikalische Daten
| CAS No. | 95-58-9 |
|---|---|
| Summenformel | C5H5ClN2 |
| Durchschnittliche Molmasse | 128,56 g/mol |
| Monoisotopische Masse | 128,0141259 g/mol |
| SMILES | Cc1nccnc1Cl |
| InChIKey | WZHWPZQQPWKEAV-UHFFFAOYSA-N |
| PubChem CID | 66769 |
| EC No. | 202-434-8 |
| DTXSID | DTXSID4059124 |
| Lokaler Name | 2-Chlor-3-methylpyrazin |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 76 |
| Kovats Retention Index | 9511399 |
| Siedepunkt | 80 °C(Press: 27 Torr) |
| Dichte | 1.234g/ml |
| Brechungsindex | 1.5283 |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa (Säurekonstante) | -0.31±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Colorless |
| InChI | InChI=1S/C5H5ClN2/c1-4-5(6)8-3-2-7-4/h2-3H,1H3 |
| InChIKey | WZHWPZQQPWKEAV-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=CN=C1C |
| LogP (Verteilungskoeffizient) | 1.058 (est) |
| CAS Datenbank | 95-58-9(CAS DataBase Reference) |
| EPA chemische Informationen | Pyrazine, 2-chloro-3-methyl- (95-58-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): 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, 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 3 reports by companies from 3 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. |
|---|---|
| Regulatorische Informationen | Chemical: Pyrazine, 2-chloro-3-methyl- |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Acute Tox. 4 (33.3%)Skin Irrit. 2 (100%)Eye Dam. 1 (33.3%)Eye Irrit. 2A (66.7%)STOT SE 3 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2933119000 |
| R-Sätze (R) | 22-37/38-41 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Chloro-3-methylpyrazine is a pyrazine compound in which the chlorine atom in the structure can be replaced for the preparation of other medicinal chemicals. It is used in the preparation of macrocyclic urea kinase inhibitors.