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1-Brom-4-chlorbutan
4-BROMOBUTYL CHLORIDE · 4-CHLOROBUTYL BROMIDE · 4-Bromo-1-chlorobutane · NAPRO-008 · 1-Bromo-4-chL · 1-Brom-4-chlorbutan · 1-Bromo-4-chloroutane · 4-CHLORO-1-BROMOBUTANE
Identifikatoren & physikalische Daten
| CAS No. | 6940-78-9 |
|---|---|
| Summenformel | C4H8BrCl |
| Durchschnittliche Molmasse | 171,46 g/mol |
| Monoisotopische Masse | 169,94979 g/mol |
| SMILES | ClCCCCBr |
| InChIKey | NIDSRGCVYOEDFW-UHFFFAOYSA-N |
| PubChem CID | 81364 |
| ChEMBL | CHEMBL350215 |
| EC No. | 230-089-3 |
| DTXSID | DTXSID1049350 |
| Lokaler Name | 1-Brom-4-chlorbutan |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 23 |
| Kovats Retention Index | 986.3991.9 |
| Schmelzpunkt | 96-97 °C(Solv: hexane (110-54-3)ethyl acetate (141-78-6)) |
| Siedepunkt | 80-82 °C/30 mmHg (lit.) |
| Dichte | 1.488 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.4875(lit.) |
| Flammpunkt | 140 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | soluble in ChloroformSLIGHTLY SOLUBLE |
| Aggregatzustand | Liquid |
| Farbe | Clear |
| BRN | 1098275 |
| InChI | 1S/C4H8BrCl/c5-3-1-2-4-6/h1-4H2 |
| InChIKey | NIDSRGCVYOEDFW-UHFFFAOYSA-N |
| SMILES | ClCCCCBr |
| CAS Datenbank | 6940-78-9(CAS DataBase Reference) |
| NIST chemische Informationen | Butane, 1-bromo-4-chloro-(6940-78-9) |
| EPA chemische Informationen | Butane, 1-bromo-4-chloro- (6940-78-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.7% (1 of 60) of reports.WarningH226 (88.3%): Flammable liquid and vapor [Warning Flammable liquids]H302 (10%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (21.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (21.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (20%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 60 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 60 reports by companies.There are 11 notifications provided by 59 of 60 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 03-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/223051-Bromo-4-chlorobutane: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (88.3%)Acute Tox. 4 (10%)Skin Irrit. 2 (21.7%)Eye Irrit. 2A (21.7%)STOT SE 3 (20%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer |