Grundinformationen
- Standard-SMILES
ClCCCCCl- InChIKey
KJDRSWPQXHESDQ-UHFFFAOYSA-N- Summenformel
- C4H8Cl2
- Durchschnittliche Molmasse
- 127,01 g/mol
- Monoisotopische Masse
- 126,00030562
Überblick
1,4-dichlorobutane is a colorless mobile liquid with a mild pleasant odor. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- 1,4-Dichlorobutane
- IUPAC
- 1,4-dichlorobutane
- Lokaler Name
- 1,4-Dichlorbutan
- Englischer Name
- 1,4-Dichlorobutane
- Summenformel
- C4H8Cl2
- Molmasse
- 127.01
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
110-56-5- PubChem CID
- 8059
- DTXSID
DTXSID5021918- UNII
- 8326YNM2B3
- EC Number
- 203-778-1
- Nikkaji
- J5.094F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 17,5
Experimentelle und physikochemische Eigenschaften
Vapor Pressure
4 mmHg at 68 °F (NTP, 1992)
4.13 [mmHg]
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]
Physikochemische Eigenschaften
- Schmelzpunkt
- -38 °C · -38 °C (lit.)
- Siedepunkt
- 161 · 161-163 °C (lit.)
- Dichte
- 1.16 g/mL · 1.16 g/mL at 25 °C (lit.)
- Dampfdruck
- 5 hPa · 5 hPa (20 °C)
- Brechungsindex
- 20 · n20/D 1.454(lit.)
- Flammpunkt
- 104 °F · 104 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 2.4 g/l · 2.4g/l
- Aggregatzustand
- Liquid
- Farbe
- Clear
- PH
- 7.3 · 7.3 (H2O, 20℃)
- Explosionsgrenze
- 1.8 · 1.8-8.9%(V)
- Wasserlöslichkeit
- 0.24 g/100 · 0.24 g/100 mL (20 ºC)
- BRN
- 635673 · 635673
- Henry's Law Constant
- 2 · 2.0×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)
- Dielectric constant
- 9.65 · 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
- 2.81 · 2.81
- CAS Datenbank
- 110 · 110-56-5(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · 1,4-Dichlorobutane(110-56-5)
- EPA chemische Informationen
- 1 · 1,4-Dichlorobutane (110-56-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.4% (1 of 224) of reports.
Warning
H226 (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.
Gefahrenhinweise
Regulatory Information
Chemical: Butane, 1,4-dichloro-
Status: Active Update: 20-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/19914
1,4-Dichlorobutane: Does not have an individual approval but may be used under an appropriate group standard
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)
Sicherheit und Schutzausrüstung
First Aid
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.
Nonfire Spill Response
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.
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.
Toxikologische Informationen
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29031980
- risk_code
- 10-36/37/38-39/23/24/25-23/24/25-11
- Toxizität
- LD50 orally in Rabbit: 3420 mg/kg
- hazard_code
- Xi,T,F
- safety_code
- 26-36-45-36/37-16-7
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Aquatic Chronic 3Flam. Liq. 3
- Selbstentzündungstemperatur
- 220 °C
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenUsed 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.
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