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Chlorpyrazin
CHLOROPYRAZINE · 2-Chloropyrazine 97% · Chlorpyrazin · chloro-pyrazin · 2-chloropyrazin · 2-CHLOROPYRAZINE · Pyrazine, chloro- · 2-Dichloropyrazine
Identifikatoren & physikalische Daten
| CAS No. | 14508-49-7 |
|---|---|
| Summenformel | C4H3ClN2 |
| Durchschnittliche Molmasse | 114,53 g/mol |
| Monoisotopische Masse | 113,99847578 g/mol |
| SMILES | Clc1cnccn1 |
| InChIKey | GELVZYOEQVJIRR-UHFFFAOYSA-N |
| PubChem CID | 73277 |
| ChEMBL | CHEMBL1741693 |
| ChEBI | CHEBI:95323 |
| EC No. | 238-517-0 |
| DTXSID | DTXSID0065779 |
| Lokaler Name | Chlorpyrazin |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 57,7 |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 0.7 |
| Schmelzpunkt | 153~154℃ |
| Siedepunkt | 153-154 °C (lit.) |
| Dichte | 1.283 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.539(lit.) |
| Flammpunkt | 136 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Soluble in MethanolINSOLUBLE |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | -1.10±0.10(Predicted) |
| Wichte | 1.283 |
| Farbe | Clear colorless to yellow |
| BRN | 107019 |
| InChI | 1S/C4H3ClN2/c5-4-3-6-1-2-7-4/h1-3H |
| InChIKey | GELVZYOEQVJIRR-UHFFFAOYSA-N |
| SMILES | Clc1cnccn1 |
| LogP (Verteilungskoeffizient) | 0.700 |
| CAS Datenbank | 14508-49-7(CAS DataBase Reference) |
| NIST chemische Informationen | Chloropyrazine(14508-49-7) |
| EPA chemische Informationen | Pyrazine, chloro- (14508-49-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (98.1%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 53 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (98.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29339990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | 3Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2-Chloropyrazine is used in cardiotonic, in biological, drug, flavoring and perfumery industry.