Basic information
- Standard SMILES
ClCCCCCl- InChIKey
KJDRSWPQXHESDQ-UHFFFAOYSA-N- Molecular formula
- C4H8Cl2
- Average molar mass
- 127.01 g/mol
- Monoisotopic mass
- 126.00030562
Overview
1,4-dichlorobutane is a colorless mobile liquid with a mild pleasant odor. (NTP, 1992)
Names & identifiers
- Preferred name
- 1,4-Dichlorobutane
- IUPAC
- 1,4-dichlorobutane
- English name
- 1,4-Dichlorobutane
- Molecular formula
- C4H8Cl2
- Molecular weight
- 127.01
Names & synonyms
1,4-DICHLOROBUTANE110-56-5Butane, 1,4-dichloro-Tetramethylene dichloride8326YNM2B3NSC-6288DTXSID5021918RefChem:73234DTXCID401918203-778-1Tetramethylene chlorideMFCD00001011
Show more names
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
Database identifiers
- CAS
110-56-5- PubChem CID
- 8059
- DTXSID
DTXSID5021918- UNII
- 8326YNM2B3
- EC Number
- 203-778-1
- Nikkaji
- J5.094F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 17.5
Experimental & physicochemical properties
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
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]
Physicochemical properties
- Melting point
- -38 °C · -38 °C (lit.)
- Boiling point
- 161 · 161-163 °C (lit.)
- Density
- 1.16 g/mL · 1.16 g/mL at 25 °C (lit.)
- vapor pressure
- 5 hPa · 5 hPa (20 °C)
- refractive index
- 20 · n20/D 1.454(lit.)
- Flash point
- 104 °F · 104 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 2.4 g/l · 2.4g/l
- form
- Liquid
- color
- Clear
- PH
- 7.3 · 7.3 (H2O, 20℃)
- explosive limit
- 1.8 · 1.8-8.9%(V)
- Water Solubility
- 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
- Stability
- 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 DataBase Reference
- 110 · 110-56-5(CAS DataBase Reference)
- FDA UNII
- 8326 YNM2B3 · 8326YNM2B3
- NIST Chemistry Reference
- 1 · 1,4-Dichlorobutane(110-56-5)
- EPA Substance Registry System
- 1 · 1,4-Dichlorobutane (110-56-5)
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 412 · H412-H226
- Precautionary statements
- 501 · P501-P273-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,T,F
- Risk Statements
- 10 · 10-36/37/38-39/23/24/25-23/24/25-11
- Safety Statements
- 26 · 26-36-45-36/37-16-7
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 1 · 1
- Autoignition Temperature
- 220 °C · 220 °C
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29031980 · 29031980
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 Flam · Aquatic Chronic 3Flam. Liq. 3
- Toxicity
- 50 orally · LD50 orally in Rabbit: 3420 mg/kg
- REACH Registrations
- Active
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
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.
Hazard information
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
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
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%)
Safety & protection
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
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.
Isolation and EvacuationExcerpt 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.
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29031980
- Toxicity
- LD50 orally in Rabbit: 3420 mg/kg
- risk_code
- 10-36/37/38-39/23/24/25-23/24/25-11
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- Xi,T,F
- safety_code
- 26-36-45-36/37-16-7
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H412-H226
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Chronic 3Flam. Liq. 3
- Autoignition Temperature
- 220 °C
- Precautionary statements
- P501-P273-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
Chemistry & industry
Uses & manufacturing
UsesUsed in organic synthesis (including adiponitrile); [NTP]
General Manufacturing InformationButane, 1,4-dichloro-: ACTIVE
Applications
UsesUsed 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.
General DescriptionColorless mobile liquid with a mild pleasant odor.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
67 records
Linked notes
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