1,2,4-Trichlorobutane

Base Information

• Chemical Name: 1,2,4-Trichlorobutane
• CAS No.: 1790-22-3
• Molecular Formula: C4H7 Cl3
• Molecular Weight: 161.459
• Hs Code.: 2903199000
• DSSTox Substance ID: DTXSID40939163
• Nikkaji Number: J87.952E
• Wikidata: Q70743412
• Mol file: 1790-22-3.mol

Synonyms:1,2,4-TRICHLOROBUTANE;1790-22-3;1,2,4-Trichlorobutane.;Butane, 1,2,4-trichloro-;1,2,4-trichloro-butane;SCHEMBL1072967;DTXSID40939163;AKOS006384859

Chemical Property of 1,2,4-Trichlorobutane

Chemical Property:

• Vapor Pressure: 1.4mmHg at 25°C
• Melting Point: -6°C (estimate)
• Refractive Index: 1.4820
• Boiling Point: 177.5°Cat760mmHg
• Flash Point: 94.5°C
• PSA: 0.00000
• Density: 1.25g/cm³
• LogP: 2.46150
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 159.961333
• Heavy Atom Count: 7
• Complexity: 37.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCl)C(CCl)Cl

Technology Process of 1,2,4-Trichlorobutane

There total 12 articles about 1,2,4-Trichlorobutane 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: 20.0%

methylcyclopropane (594-11-6) → 3-butenyl chloride (927-73-1) + 1,3-dichlorobutane (1190-22-3) + 1,2,4-trichlorobutane (1790-22-3) + 1-(2,4-Dichloro-butyl)-4,4-dimethyl-piperidine-2,6-dione

Guidance literature:

With 3,3-dimethyl-N-chloroglutarimide; In 1,1,2-Trichloro-1,2,2-trifluoroethane; at 22 ℃; for 48h; Further byproducts given; Irradiation;

upstream raw materials:

3,4-dichloro-butan-1-ol

1,4-dichlorobutane

3-butenyl chloride

1,3-dichlorobutane

Downstream raw materials:

3,4-dichlorobut-1-ene

chloroprene

Refernces

• 1、 Wine, P. H.,Semmes, D. H.. "Kinetics of Cl(2PJ) Reactions with the Chloroethanes CH3CH2Cl, CH3CHCl2, CH2ClCH2Cl and CH2ClCHCl2". . p. 3572 - 3578. Retrieved 2007/10/02.