1,4-Dichlorbutan

1,4-Dichlorobutane

HCID 8059CAS 110-56-5

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

1,4-DICHLOROBUTANE110-56-5Butane, 1,4-dichloro-Tetramethylene dichloride8326YNM2B3NSC-6288DTXSID5021918RefChem:73234DTXCID401918203-778-1Tetramethylene chlorideMFCD00001011
Weitere Namen anzeigen
DICHLOROBUTANE1,4-Dichlorobu1,4-Dichlorbutan1,4-dichloro-butanCefepime Impurity 9Butane,1,4-dichloro-1,4-Dichloro-n-butane1,4-Dichlorobutane,97%
1,4-Dichlorobutane, 99%NSC 6288EINECS 203-778-1UNII-8326YNM2B3NSC6288Butane,4-dichloro-1,4-dichloro-butaneSCHEMBL21800

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

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesSchoenflies notation
LogP2.24
Density1.1408 (NTP, 1992) - Denser than water; will sink
Flash Point104 °F (NTP, 1992)
Boiling Point309 °F at 760 mmHg (NTP, 1992)

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 · 3 Einträge

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

DOT LabelFlammable Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsACUTE/CHRONIC HAZARDS: Irritant. (NTP, 1992)
Hazards SummaryAn irritant; [NTP] May cause eye irritation; [Alfa Aesar MSDS] See 1,2-Dichlorobutane and 1,3-Dichloropropane.
Reactive GroupHalogenated Organic Compounds

Sicherheit und Schutzausrüstung

Fire FightingA fire in your laboratory involving this chemical should be extinguished with a dry chemical, carbon dioxide or halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

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 · 1 Eintrag

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 EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Personal Protective Equipment (PPE) · 1 Eintrag

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

Adverse EffectsNeurotoxin - Acute solvent syndrome

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

Chemie und Industrie

Verwendung und Herstellung

UsesUsed in organic synthesis (including adiponitrile); [NTP]
General Manufacturing InformationButane, 1,4-dichloro-: ACTIVE

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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