StartseiteMCPWorkbenchSkills
StartseiteWorkbenchBenachrichtigungenMein Bereich
llms.txt · MCP-AnleitungDatenschutz · Nutzungsbedingungen · Supportv1.8.0
  1. Startseite
  2. /Verbindung

1,4-Dichlorbutan

1,4-Dichlorobutane

HCID 8059
Neue NotizNeue ReaktionAnfrage stellen
Druckvorschau
GrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
110-56-5
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
Formalladung
0
Komplexität
17,5

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)
Melting Point-35.1 °F (NTP, 1992)
Vapor Density4.4 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure · 2 Einträge

4 mmHg at 68 °F (NTP, 1992)

4.13 [mmHg]

Physical Description · 2 Einträge

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

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

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
Reactivity AlertsHighly Flammable
Reactivity Profile · 1 Eintrag

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 ReactionsHighly flammable. Insoluble in water.
Hazard Classes and CategoriesFlam. Liq. 3 (99.6%)

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
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

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.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

1-Chlorbutan

Nachgelagerte Produkte

Butan-1,4-diylbis[diphenylphosphin]Cyclohexa-1,4-dienFenothiocarbTetramethylendiamin1-Brom-4-chlorbutan1,4-bis(2-methyl-1H-imidazol-1-yl)butane1,1-Dichlorsilacyclopentan1-Aminopyrrolidine3,4-Dihydro-7-(4-chlorobutoxy)-2(1H)-quinolinone5-ChlorvalerylchloridHexandinitril2-Butanesulfonyl chloride, 1,4-dichloro-

Zugehörige Reaktionen

67
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 95506
HRID 95506als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 105390
HRID 105390als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 166427
HRID 166427als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaktionsgleichung von HRID 204969
HRID 204969als EduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaktionsgleichung von HRID 222603
HRID 222603als Eduktuspto-grants-2012_06
Reaktionsgleichung von HRID 232446
HRID 232446als Eduktuspto-grants-1989_07
Reaktionsgleichung von HRID 253687
HRID 253687als Eduktuspto-grants-2011_01
Reaktionsgleichung von HRID 354929
HRID 354929als Eduktuspto-grants-1983_03
Seite 1 von 9

Notizen zur Verbindung

Wird geladen…

Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
Weitere Aktionen
Neue NotizNeue ReaktionAnfrage stellen