HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Bromhexanonitril
6-BROMOCAPRONITRILE · 6-Bromohexanenitrile · 6-Bromohexanonitrile · 6-bromo-hexanenitril · 5-Bromopentyl cyanide · Hexanenitrile, 6-bromo- · 6-Bromocapronitrile,97% · 6-Bromohexanenitrile,97%
Identifikatoren & physikalische Daten
| CAS No. | 6621-59-6 |
|---|---|
| Summenformel | C6H10BrN |
| Durchschnittliche Molmasse | 176,05 g/mol |
| Monoisotopische Masse | 174,99966142 g/mol |
| SMILES | N#CCCCCCBr |
| InChIKey | PHOSWLARCIBBJZ-UHFFFAOYSA-N |
| PubChem CID | 81093 |
| EC No. | 229-570-0 |
| DTXSID | DTXSID9064421 |
| Lokaler Name | 6-Bromhexanonitril |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 81,8 |
| Siedepunkt | 134 °C/13 mmHg (lit.) |
| Dichte | 1.328 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.477(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, Methanol (Slightly) |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| Wichte | 1.328 |
| BRN | 1744172 |
| InChI | InChI=1S/C6H10BrN/c7-5-3-1-2-4-6-8/h1-5H2 |
| InChIKey | PHOSWLARCIBBJZ-UHFFFAOYSA-N |
| SMILES | C(#N)CCCCCBr |
| CAS Datenbank | 6621-59-6(CAS DataBase Reference) |
| EPA chemische Informationen | Hexanenitrile, 6-bromo- (6621-59-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (11.1%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 6-Bromohexanonitrile: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (11.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3276 |
| Zollcode | 29269090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
6-Bromohexanenitrile (6-Bromocapronitrile, 6-Bromohexanonitrile) is suitable reagent used in the synthesis of (5-cyanopentyl)zinc(II) bromide, an organozinc reagent. It may be used in the synthesis of the following:6-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)hexanenitrile.dimethyl 6,6′-dithiobiscaproimidate, a long-chain dithiobisimidate.N-benzyloxy-(4-cyanopentyl)-carbamic acid ethyl ester, a N-benzyloxy carbamate derivative.1-hetarylsulfanyl-ω-cyanoalkanes.