HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Chloro-4-cyanopyridine
2-CHLOROISONICOTINONITRILE · 2-CHLOROPYRIDINE-4-CARBONITRILE · 2-CHLORO-4-PYRIDINECARBONITRILE · 2-4 - cyanopyridine chloride - · 2-CHLORO-4-CYANOPYRIDINE 2-CHLORO-ISONICOTINONITRILE · 2-Chloro-4-pyridinecarbonitrile,2-Chloro-4-cyanopyridine · Compound Fr13742 · BUTTPARK 43\57-01
Identifikatoren & physikalische Daten
| CAS No. | 33252-30-1 |
|---|---|
| Summenformel | C6H3ClN2 |
| Durchschnittliche Molmasse | 138,55 g/mol |
| Monoisotopische Masse | 137,99847578 g/mol |
| SMILES | N#Cc1ccnc(Cl)c1 |
| InChIKey | QRXBTPFMCTXCRD-UHFFFAOYSA-N |
| PubChem CID | 568638 |
| EC No. | 608-852-0 |
| DTXSID | DTXSID00340938 |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 36,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 137 |
| Schmelzpunkt | 69-73 °C(lit.) |
| Siedepunkt | 104-106°C 15mm |
| Dichte | 1.33±0.1 g/cm3(Predicted) |
| Flammpunkt | 104-106°C/15mm |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | -1.60±0.10(Predicted) |
| Farbe | White to Almost white |
| BRN | 113927 |
| InChI | InChI=1S/C6H3ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H |
| InChIKey | QRXBTPFMCTXCRD-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=CC(C#N)=C1 |
| CAS Datenbank | 33252-30-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (16.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 55 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (16.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3276 |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-36/37/39-36/37 |
| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-Chloro-4-cyanopyridine is an intermediate used to prepare pyrrolopyridine inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK-2). It is also used to synthesize pyridinyl-tetrazoles as scaffold to identify matrix MMP-13 inhibitors for treatment of osteoarthritis.