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2-Chlorbutan
sec-C4H9Cl · 2-Chlorbutan · 2-CHLOROBUTANE · 2-chloro-butan · 2-Butylchloride · Butane,2-chloro- · chlorosec-butane · s-Butyl Chloride
Identifikatoren & physikalische Daten
| CAS No. | 78-86-4 |
|---|---|
| Summenformel | C4H9Cl |
| Durchschnittliche Molmasse | 92,57 g/mol |
| Monoisotopische Masse | 92,039278 g/mol |
| SMILES | CCC(C)Cl |
| InChIKey | BSPCSKHALVHRSR-UHFFFAOYSA-N |
| PubChem CID | 6563 |
| ChEMBL | CHEMBL346529 |
| ChEBI | CHEBI:166855 |
| EC No. | 201-151-7 |
| DTXSID | DTXSID9023966 |
| Lokaler Name | 2-Chlorbutan |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 19 |
| Dichte | 0.873 @25 °C0.873 g/mL at 25 °C (lit.) |
| Siedepunkt | 68.5 °C @760 [mm Hg]68-70 °C (lit.) |
| Dampfdruck | 157.0 [mmHg]160 hPa (20 °C) |
| Physical Description | Liquiddl-Form: Liquid with a pleasant odor[Merck Index] Clear colorless liquid[Aldrich MSDS] |
| Kovats Retention Index | 598.38598.87601600.4611589582586588591599609616 |
| Schmelzpunkt | -140 °C (lit.) |
| Brechungsindex | n20/D 1.396(lit.) |
| Flammpunkt | 5 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | 1.0g/limmiscible |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly yellow |
| pH | 7 (H2O, 20℃)Aqueous solution |
| Explosionsgrenze | 2.0-8.8%(V) |
| Merck | 14,1561 |
| BRN | 1718770 |
| Henry-Konstante | 4.1×10-4 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Dielektrizitätskonstante | 8.5600000000000005 |
| Stabilität | Stable. Flammable - note low flash point. May form explosive mixtures with air. Incompatible with strong oxidizing agents. |
| InChI | 1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3 |
| InChIKey | BSPCSKHALVHRSR-UHFFFAOYSA-N |
| SMILES | CCC(C)Cl |
| LogP (Verteilungskoeffizient) | 2.72 at 25℃ |
| CAS Datenbank | 78-86-4(CAS DataBase Reference) |
| NIST chemische Informationen | Butane, 2-chloro-(78-86-4) |
| EPA chemische Informationen | 2-Chlorobutane (78-86-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]H290 (62.6%): May be corrosive to metals [Warning Corrosive to Metals]H315 (11.8%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (11.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (11.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H412 (62.6%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P210, P233, P234, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P390, P403+P233, P403+P235, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 187 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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 | Chemical: Butane, 2-chloro-Butane, 2-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butane, 2-chloro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 09-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5783Butane, 2-chloro-: HSNO Approval: HSR001385 Approved with controlsThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| Gefahrenübersicht | May cause irritation[Aldrich MSDS] See 1,2-Dichlorobutane. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%)Met. Corr. 1 (62.6%)Skin Irrit. 2 (11.8%)Eye Irrit. 2 (11.8%)STOT SE 3 (11.8%)Aquatic Chronic 3 (62.6%)Flammable agents - 3rd degree |
| Protective Action Criteria (PAC) | 5.2 [ppm]57 [ppm]340 [ppm] |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| EPA IRIS Information | 2-Chlorobutane |
| Toxicity Data | LCLo (rat) = 8,000 ppm/4hr |
| EPA Provisional Peer-Reviewed Toxicity Values | 2-ChlorobutanePDF Document2005 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1127 3/PG 2 |
| Zollcode | 29031980 |
| RTECS-Nr. | EJ6475000 |
| R-Sätze (R) | 11 |
| Toxizität | LD50 orally in Rabbit: 17400 mg/kg LD50 dermal Rabbit 17400 mg/kg |
| Gefahrensymbole | F |
| Sicherheitshinweise (S) | 16-29-7/9-9 |
| Gefahrenklasse | 3Flam. Liq. 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
| Selbstentzündungstemperatur | 460 °C |
Anwendungen & Verwendung
Verwenden
2-Chlorobutane is used as a solvent and intermediate in organic synthesis. Further, it is involved in the preparation of active pharmaceutical ingredients, plasticizer, rubber, resin and surfactants.