HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Cyanoisonicotinic Acid
Tuobisite Impurity 18 · 2-Cyanoisonicotinicaci · Topirast intermediate 4 · Topiroxostat Impurity 32 · 2-CYANOISONICOTINIC ACID · Topiroxostat Impurity 47 · Cyano-4-pyridinecarboxylicacid · -Cyano-4-pyridinecarboxylicacid
Identifikatoren & physikalische Daten
| CAS No. | 161233-97-2 |
|---|---|
| Summenformel | C7H4N2O2 |
| Durchschnittliche Molmasse | 148,12 g/mol |
| Monoisotopische Masse | 148,02727737 g/mol |
| SMILES | N#Cc1cc(C(=O)O)ccn1 |
| InChIKey | MPSVJNPESHZCIB-UHFFFAOYSA-N |
| PubChem CID | 2762513 |
| EC No. | 813-657-0 |
| DTXSID | DTXSID30376280 |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 74 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 206 |
| Schmelzpunkt | 335 °C |
| Siedepunkt | 478.4±30.0 °C(Predicted) |
| Dichte | 1.42±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 2.81±0.10(Predicted) |
| Farbe | White to Light yellow |
| InChI | InChI=1S/C7H4N2O2/c8-4-6-3-5(7(10)11)1-2-9-6/h1-3H,(H,10,11) |
| InChIKey | MPSVJNPESHZCIB-UHFFFAOYSA-N |
| SMILES | C1(C#N)=NC=CC(C(O)=O)=C1 |
| CAS Datenbank | 161233-97-2 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (20%) |
| Zollcode | 2933399990 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
Anwendungen & Verwendung
Verwenden
2-Cyano-4-pyridine carboxylic acid can be used to synthesize a variety of compounds, including benzylisocyanate, thionyl chloride, and chloroformate.