1,4-Dichlorobutane

Base Information

• Chemical Name: 1,4-Dichlorobutane
• CAS No.: 110-56-5
• Molecular Formula: C4H8Cl2
• Molecular Weight: 127.014
• Hs Code.: 29031980
• European Community (EC) Number: 203-778-1
• NSC Number: 6288
• UN Number: 1993
• UNII: 8326YNM2B3
• DSSTox Substance ID: DTXSID5021918
• Nikkaji Number: J5.094F
• Wikipedia: 1,4-Dichlorobutane
• Wikidata: Q161526
• Mol file: 110-56-5.mol

Synonyms:1,4-dichlorobutane

Chemical Property of 1,4-Dichlorobutane

Chemical Property:

• Appearance/Colour: Colorless mobile liquid
• Vapor Pressure: 23.7mmHg at 25°C
• Melting Point: -38 °C
• Refractive Index: n20/D 1.454(lit.)
• Boiling Point: 153.9 °C at 760 mmHg
• Flash Point: 40.8 °C
• PSA: 0.00000
• Density: 1.16 g/cm³
• LogP: 2.24420
• Water Solubility.: 0.24 g/100 mL (20℃)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 126.0003056
• Heavy Atom Count: 6
• Complexity: 17.5
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% min ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi,T
• Hazard Codes: Xi:Irritant
• Statements: R10:; R36/37/38:
• Safety Statements: S26:; S36:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Saturated
• Canonical SMILES: C(CCCl)CCl

Technology Process of 1,4-Dichlorobutane

There total 58 articles about 1,4-Dichlorobutane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 76.0%

tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) → bis-(4-chlorobutyl)ether (6334-96-9) + 1,4-dichlorobutane (110-56-5)

Guidance literature:

With molybdenum(V) chloride; In 1,2-dichloro-ethane; at 50 ℃; for 24h;

DOI:10.1016/S0040-4020(02)00738-X

Reference yield: 20.0%

tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + chloro-trimethyl-silane (75-77-4) → Hexamethyldisiloxane (107-46-0) + 1,4-dichlorobutane (110-56-5)

Guidance literature:

With silica gel; In hexane; at 50 ℃; for 72h;

Reference yield: 15.0%

tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + chloro-trimethyl-silane (75-77-4) → Hexamethyldisiloxane (107-46-0) + 1-chloro-4-trimethylsilanyloxy-butane (13617-19-1) + 1,4-dichlorobutane (110-56-5)

Guidance literature:

With aluminum oxide; In hexane; at 50 ℃; for 90h; Product distribution; further reagents;

upstream raw materials:

tetrahydrofuran

Dichloromethylsilane

phosgene

(E)-3-Ureido-but-2-enoic acid ethyl ester

Downstream raw materials:

hexahydro-pyrazolo[1,2-a]pyridazine

octahydro-pyridazino[1,2-a]pyridazine

1,4-diaminobutane

1-phenyl-1-cyclopentanecarbonitrile

Refernces

• 1、 Tanner, Dennis D.,Arhart, Richard,Meintzer, Christian P.. "POLAR RADICALS XVIII. ON THE MECHANISM OF CHLORINATION BY N-CHLOROAMINES: INTERMOLECULAR AND INTRAMOLECULAR ABSTRACTION.". . p. 4261 - 4278. Retrieved 1985.
• 2、 Dees,Setser. "-". . p. 2240. Retrieved 1971.
• 3、 Blake, Michael E,Jones Jr., Maitland,Zheng, Fengmei,Moss, Robert A. "Fragmentation of alkoxychlorocarbenes in the gas phase". . p. 3069 - 3071. Retrieved 2002.
• 4、 Teunissen, Herman T.,Hollebeek, Jan,Nieuwenhuizen, Peter J.,Baar, Ben L. M. van,Kanter, Frans J. J. de,Bickelhaupt, Friedrich. "Diels-Alder Reactions of Trichlorophosphaethene". . p. 7439 - 7444. Retrieved 1995.
• 5、 Nikishin, Gennady I.,Sokova, Lyubov L.,Makhaev, Viktor D.,Kapustina, Nadezhda I.. "Solid-phase reactions of alkanedicarboxylic acids with the Pb(OAc) 4-NH4Cl system". . p. 264 - 265. Retrieved 2003.
• 6、 -. "Preparation method of dichloroalkane". Paragraph 0020. . Retrieved 2021/02/10.
• 7、 -. "1,4-dichlorobutane production technology". Paragraph 0026-0036. . Retrieved 2019/10/23.