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1,4-Dichlorbutan
DICHLOROBUTANE · 1,4-Dichlorobu · 1,4-Dichlorbutan · 1,4-DICHLOROBUTANE · 1,4-dichloro-butan · Cefepime Impurity 9 · Butane,1,4-dichloro- · Butane, 1,4-dichloro-
Identifikatoren & physikalische Daten
| CAS No. | 110-56-5 |
|---|---|
| Summenformel | C4H8Cl2 |
| Durchschnittliche Molmasse | 127,01 g/mol |
| Monoisotopische Masse | 126,00030562 g/mol |
| SMILES | ClCCCCCl |
| InChIKey | KJDRSWPQXHESDQ-UHFFFAOYSA-N |
| PubChem CID | 8059 |
| EC No. | 203-778-1 |
| DTXSID | DTXSID5021918 |
| Lokaler Name | 1,4-Dichlorbutan |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 17,5 |
| Stoffklassen | Other Classes -> Halogenated Aliphatics, Saturated |
| SpringerMaterials Properties | Schoenflies notation |
| LogP (Verteilungskoeffizient) | 2.24 |
| Dichte | 1.1408 (NTP, 1992) - Denser than waterwill sink1.16 g/mL at 25 °C (lit.) |
| Flammpunkt | 104 °F (NTP, 1992) |
| Siedepunkt | 309 °F at 760 mmHg (NTP, 1992)161-163 °C (lit.) |
| Schmelzpunkt | -35.1 °F (NTP, 1992)-38 °C (lit.) |
| Dampfdichte | 4.4 (NTP, 1992) - Heavier than airwill sink (Relative to Air) |
| Dampfdruck | 4 mmHg at 68 °F (NTP, 1992)4.13 [mmHg]5 hPa (20 °C) |
| Physical Description | 1,4-dichlorobutane is a colorless mobile liquid with a mild pleasant odor. (NTP, 1992)Colorless liquid with a mild pleasant odor[CAMEO] |
| Brechungsindex | n20/D 1.454(lit.) |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | 2.4g/l0.24 g/100 mL (20 ºC) |
| Aggregatzustand | Liquid |
| Farbe | Clear |
| pH | 7.3 (H2O, 20℃) |
| Explosionsgrenze | 1.8-8.9%(V) |
| BRN | 635673 |
| Henry-Konstante | 2.0×10-2 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Dielektrizitätskonstante | 9.6500000000000004 |
| Stabilität | Stable. Flammable. Incompatible with strong bases, strong oxidizing agents. |
| InChI | 1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2 |
| InChIKey | KJDRSWPQXHESDQ-UHFFFAOYSA-N |
| SMILES | ClCCCCCl |
| LogP (Verteilungskoeffizient) | 2.81 |
| CAS Datenbank | 110-56-5(CAS DataBase Reference) |
| NIST chemische Informationen | 1,4-Dichlorobutane(110-56-5) |
| EPA chemische Informationen | 1,4-Dichlorobutane (110-56-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.4% (1 of 224) of reports.WarningH226 (99.6%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, 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, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 224 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Butane, 1,4-dichloro-Status: Active Update: 20-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/199141,4-Dichlorobutane: Does not have an individual approval but may be used under an appropriate group standard |
| DOT-Kennzeichnung | Flammable Liquid |
| Brandgefahren | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Gesundheitsgefahren | ACUTE/CHRONIC HAZARDS: Irritant. (NTP, 1992) |
| Gefahrenübersicht | An irritant[NTP] May cause eye irritation[Alfa Aesar MSDS] See 1,2-Dichlorobutane and 1,3-Dichloropropane. |
| Reaktive Gruppe | Halogenated Organic Compounds |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | Halogenated aliphatic compounds, such as 1,4-DICHLOROBUTANE, are moderately or very reactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. This compound can react vigorously with oxidizing materials. (NTP, 1992) |
| Air and Water Reactions | Highly flammable. Insoluble in water. |
| Hazard Classes and Categories | Flam. Liq. 3 (99.6%) |
| Brandbekämpfung | A fire in your laboratory involving this chemical should be extinguished with a dry chemical, carbon dioxide or halon extinguisher. (NTP, 1992) |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Isolation and Evacuation | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29031980 |
| R-Sätze (R) | 10-36/37/38-39/23/24/25-23/24/25-11 |
| Toxizität | LD50 orally in Rabbit: 3420 mg/kg |
| Gefahrensymbole | Xi,T,F |
| Sicherheitshinweise (S) | 26-36-45-36/37-16-7 |
| Gefahrenklasse | 3Aquatic Chronic 3Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
| Selbstentzündungstemperatur | 220 °C |
Anwendungen & Verwendung
Verwenden
Used in organic synthesis including adiponitrile. It is also used as an active pharmaceutical intermediate. 1,4-dichlorobutane (1,4-DCB) can be used as an organic solvent (O) for ion-transfer voltammetry at water (W) interface.