HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-(Brommethyl)heptan
3-(BROMOMETHYL)HEPTANE · 1-BROMO-2-ETHYLHEXANE · OCTYL BROMIDE · Heptane, 3-(bromomethyl)- · Bromoctane · BROMO ISOOCTANE · ISO-OCTYL BROMIDE · Ethylhexyl broMid
Identifikatoren & physikalische Daten
| CAS No. | 18908-66-2 |
|---|---|
| Summenformel | C8.H17.Br |
| Durchschnittliche Molmasse | 193,12 g/mol |
| Monoisotopische Masse | 192,05136264 g/mol |
| SMILES | CCCCC(CC)CBr |
| InChIKey | NZWIYPLSXWYKLH-UHFFFAOYSA-N |
| PubChem CID | 86804 |
| EC No. | 242-659-9 |
| DTXSID | DTXSID80885074 |
| Lokaler Name | 3-(Brommethyl)heptan |
Chemische & physikalische Eigenschaften
| XLogP | 4,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 52,5 |
| Stoffklassen | Other Classes -> Halogenated Aliphatics, Saturated |
| SpringerMaterials Properties | Dielectric constant |
| Dichte | 1.086 @25 °C1.086 g/mL at 25 °C(lit.) |
| Physical Description | Colorless liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | -55°C (estimate) |
| Siedepunkt | 75-77 °C16 mm Hg(lit.) |
| Brechungsindex | n20/D 1.4538(lit.) |
| Flammpunkt | 157 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform, Ethyl Acetateinsoluble |
| Aggregatzustand | Liquid |
| Wichte | 1.12 |
| Farbe | Clear colorless to yellow |
| BRN | 1098313 |
| Dielektrizitätskonstante | 5.0(Ambient) |
| InChI | 1S/C8H17Br/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3 |
| InChIKey | NZWIYPLSXWYKLH-UHFFFAOYSA-N |
| SMILES | CCCCC(CC)CBr |
| CAS Datenbank | 18908-66-2(CAS DataBase Reference) |
| NIST chemische Informationen | Heptane, 3-(bromomethyl)-(18908-66-2) |
| EPA chemische Informationen | Heptane, 3-(bromomethyl)- (18908-66-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 19% (37 of 195) of reports.WarningH302 (55.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 195 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 25-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/190463-(Bromomethyl)heptane: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Stabilized with 1% potassium carbonateA skin and strong eye irritant[Sigma-Aldrich MSDS] See 1-Bromohexane. |
| Hazard Classes and Categories | Acute Tox. 4 (55.9%) |
| Protective Action Criteria (PAC) | 12 [mg/m3]130 [mg/m3]790 [mg/m3] |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29033036 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Ethylhexyl bromide has been used in the synthesis of:methoxy-4-(2-ethylhexyloxy)benzenephotovoltaic conjugated polymer, having benzo[1,2-b:4,5-b′]difuran building block1-bromo-4-(2′-ethylhexyloxy)benzene3