1,3-Dichlorobutane

Base Information

• Chemical Name: 1,3-Dichlorobutane
• CAS No.: 1190-22-3
• Molecular Formula: C4H8Cl2
• Molecular Weight: 127.014
• Hs Code.: 2903199000
• European Community (EC) Number: 214-718-9
• DSSTox Substance ID: DTXSID90870855
• Nikkaji Number: J7.449G
• ChEMBL ID: CHEMBL352037
• Mol file: 1190-22-3.mol

Synonyms:1,3-DICHLOROBUTANE;1190-22-3;Butane, 1,3-dichloro-;1,3-Dichloro-butane;EINECS 214-718-9;1,3-Dichlorobutane, 99%;SCHEMBL162994;CHEMBL352037;DTXSID90870855;BAA19022;MFCD00000870;AKOS006221689;BS-43853;CS-0442069;D0348;FT-0606650;D89632;J-004056

Chemical Property of 1,3-Dichlorobutane

Chemical Property:

• Appearance/Colour: Clear colourless liquid
• Vapor Pressure: 10.2mmHg at 25°C
• Melting Point: -70.34°C (estimate)
• Refractive Index: n20/D 1.4431(lit.)
• Boiling Point: 133.999 °C at 760 mmHg
• Flash Point: 30.556 °C
• PSA: 0.00000
• Density: 1.079 g/cm³
• LogP: 2.24260
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 126.0003056
• Heavy Atom Count: 6
• Complexity: 28.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,3-Dichlorobutane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37
• Safety Statements: 16-26-27-33-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 1,3-Dichlorobutane

There total 33 articles about 1,3-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: 34.4%

cyclopropylmethyl (2154-76-9) → 3-butenyl chloride (927-73-1) + 1,3-dichlorobutane (1190-22-3) + 1,2,4-trichlorobutane (1790-22-3) + chloro(cyclopropyl)methane (5911-08-0)

Guidance literature:

With chlorine; In benzene; Rate constant; Product distribution; Irradiation; other chlorinating agents;

Reference yield: 24.2%

methylcyclopropane (594-11-6) → 3-butenyl chloride (927-73-1) + 1,3-dichlorobutane (1190-22-3) + 1,2,4-trichlorobutane (1790-22-3) + chloro(cyclopropyl)methane (5911-08-0)

Guidance literature:

With chlorine; In 1,1,2-Trichloro-1,2,2-trifluoroethane; at 20 ℃; Irradiation;

Reference yield: 23.0%

trans-but-2-enyl chloride (4894-61-5) + carbon monoxide (201230-82-2) → 1,3-dichlorobutane (1190-22-3) + 5-methyl-dihydro-furan-2-one (108-29-2)

Guidance literature:

With sulfuric acid; at 50 ℃; under 51754.1 Torr;

DOI:10.1021/jo00369a028

upstream raw materials:

formaldehyd

propene

s-butyl chloride

1.3-butanediol

Downstream raw materials:

4-chloro-valeronitrile

2-methylglutaronitrile

1.3-butanediol

methylcyclopropane

Refernces

• 1、 Billups,W.E. et al.. "-". . p. 1095 - 1099. Retrieved 1970.
• 2、 Munyemana, Fran?ois,George, Isabelle,Devos, Alain,Colens, Alain,Badarau, Eduard,Frisque-Hesbain, Anne-Marie,Loudet, Aurore,Differding, Edmond,Damien, Jean-Marie,Rémion, Jeanine,Van Uytbergen, Jacqueline,Ghosez, Léon. "A mild method for the replacement of a hydroxyl group by halogen. 1. Scope and chemoselectivity". . p. 420 - 430. Retrieved 2015/12/31.
• 3、 Khusnutdinov, R. I.,Shchadneva, N. A.,Dzhemilev, U. M.,Tolstikov, G. A.. "HYDROCHLORINATION OF UNSATURATED COMPOUNDS BY THE ACTION OF CH2Cl2 OR CHCl3 AND RHODIUM COMPLEXES". . p. 1213 - 1217. Retrieved 2007/10/02.