HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Brompentannitril
5-BROMOPENTANENITRILE · BROMOVALERONITRILE · eronitriL · 5-BroMovaleronitile · 5-BROMOVALERONITRILE · 4-BROMOBUTYL CYANIDE · 4-Cyanobutyl bromide · 1-Cyano-4-bromobutane
Identifikatoren & physikalische Daten
| CAS No. | 5414-21-1 |
|---|---|
| Summenformel | C5H8BrN |
| Durchschnittliche Molmasse | 162,03 g/mol |
| Monoisotopische Masse | 160,98401136 g/mol |
| SMILES | N#CCCCCBr |
| InChIKey | NWWWGAKVHCSAEU-UHFFFAOYSA-N |
| PubChem CID | 79435 |
| EC No. | 226-505-8 |
| DTXSID | DTXSID60202487 |
| Lokaler Name | 5-Brompentannitril |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 71,4 |
| Siedepunkt | 110-111 °C (12 mmHg) |
| Dichte | 1.388 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.478(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light orange to Yellow |
| Löslichkeit | Slightly soluble in water (4.1 g/L at 25°C). |
| BRN | 1742080 |
| InChI | InChI=1S/C5H8BrN/c6-4-2-1-3-5-7/h1-4H2 |
| InChIKey | NWWWGAKVHCSAEU-UHFFFAOYSA-N |
| SMILES | C(#N)CCCCBr |
| CAS Datenbank | 5414-21-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (93.5%): 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 5-Bromovaleronitrile: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (93.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3276 6.1/PG 3 |
| Zollcode | 29269090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 6.1Eye 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
5-Bromovaleronitrile is used to produce 5-Bromo-pentanoic acid.