HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 817694Erstellt: 27. Oktober 2026
3-Bromopyridine-2-carbonitrile
3-bromopicolinonitrile · 3-BROMO-2-PYRIDINECARBONITRILE · 3-BROMO-PYRIDINE-2-CARBONITRILE · Zinc00331841 · 3-BROMO-2-CYANOPYRIDINE · 2-Cyano-3-broMopyridine · Nicotinic Acid Impurity 49 · 3-Bromo-2-cyanopyridine >3-Bromo-2-cyanopyridine 97+%
https://huagongshe.com/de/chemical/817694
Identifikatoren & physikalische Daten
| CAS No. | 55758-02-6 |
|---|
| Summenformel | C6H3BrN2 |
|---|
| Durchschnittliche Molmasse | 183,01 g/mol |
|---|
| Monoisotopische Masse | 181,9479602 g/mol |
|---|
| SMILES | N#Cc1ncccc1Br |
|---|
| InChIKey | HCOPIUVJCIZALB-UHFFFAOYSA-N |
|---|
| PubChem CID | 817694 |
|---|
| EC No. | 624-977-3 |
|---|
| DTXSID | DTXSID70355837 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|
| 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 | 93-98 °C |
|---|
| Siedepunkt | 120°C/4mm |
|---|
| Dichte | 1.72±0.1 g/cm3(Predicted) |
|---|
| Flammpunkt | 120°C/4mm |
|---|
| Lagerbedingungen | Inert atmosphere,Room Temperature |
|---|
| Löslichkeit | soluble in Dichloromethane, Ether, Ethyl Acetate, Methanol |
|---|
| Aggregatzustand | Powder or Crystalline Powder |
|---|
| pKa (Säurekonstante) | -2.68±0.10(Predicted) |
|---|
| Farbe | White to pale brown |
|---|
| InChI | InChI=1S/C6H3BrN2/c7-5-2-1-3-9-6(5)4-8/h1-3H |
|---|
| InChIKey | HCOPIUVJCIZALB-UHFFFAOYSA-N |
|---|
| SMILES | C1(C#N)=NC=CC=C1Br |
|---|
| CAS Datenbank | 55758-02-6(CAS DataBase Reference) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (89.6%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 3 (89.6%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| UN-Transportnummer | UN3439 |
|---|
| Zollcode | 29333990 |
|---|
| R-Sätze (R) | 22-37/38-41 |
|---|
| Gefahrensymbole | Xi,Xn |
|---|
| hazard_note | Irritant |
|---|
| Sicherheitshinweise (S) | 26-39 |
|---|
| Gefahrenklasse | 6.1Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
|---|
| Verpackungsgruppe | III |
|---|
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
|---|
