HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Chlornicotinonitril
2-CHLORONICOTINONITRILE · 2-Chloro-3-cyanopyri · 2-CHLORONICOTINITRILE · 3-cyano-2-chloropyridine · 2-CHLORO-3-PYRIDINECARBONITRILE · NSC 73287 · AKOS 93614 · RARECHEM AH CK 0066
Identifikatoren & physikalische Daten
| CAS No. | 6602-54-6 |
|---|---|
| Summenformel | C6H3ClN2 |
| Durchschnittliche Molmasse | 138,55 g/mol |
| Monoisotopische Masse | 137,99847578 g/mol |
| SMILES | N#Cc1cccnc1Cl |
| InChIKey | JAUPUQRPBNDMDT-UHFFFAOYSA-N |
| PubChem CID | 81079 |
| ChEMBL | CHEMBL1969978 |
| EC No. | 229-550-1 |
| DTXSID | DTXSID00216240 |
| Lokaler Name | 2-Chlornicotinonitril |
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 | 104-107 °C(lit.) |
| Siedepunkt | 112°C 1mm |
| Dichte | 1.3185 (rough estimate) |
| Brechungsindex | 1.4877 (estimate) |
| Flammpunkt | 112°C/1mm |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Crystalline Powder or Flakes |
| pKa (Säurekonstante) | -2.17±0.10(Predicted) |
| Farbe | White to off-white |
| BRN | 115772 |
| InChI | InChI=1S/C6H3ClN2/c7-6-5(4-8)2-1-3-9-6/h1-3H |
| InChIKey | JAUPUQRPBNDMDT-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=CC=C1C#N |
| CAS Datenbank | 6602-54-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]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 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 3-Pyridinecarbonitrile, 2-chloro-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (98%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3439 6.1/PG 3 |
| Zollcode | 29333990 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,T,Xi |
| hazard_note | Toxic/Irritant |
| Sicherheitshinweise (S) | 26-36-36/37/39 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
2-Chloro-3-cyanopyridine (cas# 6602-54-6) is a compound useful in organic synthesis.