1,1,4-Trichlorobutane

Base Information

• Chemical Name: 1,1,4-Trichlorobutane
• CAS No.: 66250-03-1
• Molecular Formula: C4H7Cl3
• Molecular Weight: 161.459
• Hs Code.: 2903199000
• European Community (EC) Number: 266-276-1
• DSSTox Substance ID: DTXSID10984766
• Nikkaji Number: J87.950I
• Wikidata: Q82972085
• Mol file: 66250-03-1.mol

Synonyms:1,1,4-Trichlorobutane;66250-03-1;EINECS 266-276-1;Butane, 1,1,4-trichloro-;SCHEMBL2566464;DTXSID10984766;AKOS006386933

Chemical Property of 1,1,4-Trichlorobutane

Chemical Property:

• Vapor Pressure: 1.81mmHg at 25°C
• Melting Point: -6°C (estimate)
• Refractive Index: 1.4629 (estimate)
• Boiling Point: 172.1°Cat760mmHg
• Flash Point: 89.4°C
• PSA: 0.00000
• Density: 1.25g/cm³
• LogP: 2.80910
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 159.961333
• Heavy Atom Count: 7
• Complexity: 35.9

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(Cl)Cl)CCl

Technology Process of 1,1,4-Trichlorobutane

There total 5 articles about 1,1,4-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:

1,1-dichlorobutane (541-33-3) → 1,1,2-trichloro-butane (66675-32-9) + 1,1,1-trichloro-butane (13279-85-1) + 1,1,3-trichloro-butane (13279-87-3) + 1,1,4-trichloro-butane (66250-03-1)

Guidance literature:

With chlorine; at 80 ℃;

Reference yield:

sulfuryl dichloride (7791-25-5) + 1,1-dichlorobutane (541-33-3) + dibenzoyl peroxide (94-36-0) → 1,1,2-trichloro-butane (66675-32-9) + 1,1,1-trichloro-butane (13279-85-1) + 1,1,3-trichloro-butane (13279-87-3) + 1,1,4-trichloro-butane (66250-03-1)

Guidance literature:

at 80 ℃;

DOI:10.1021/ja01620a019

Reference yield:

1,1-dichlorobutane (541-33-3) → 1,1,4-trichloro-butane (66250-03-1)

Guidance literature:

With sulfuryl dichloride; dibenzoyl peroxide;

DOI:10.1021/ja01620a019

upstream raw materials:

1,1-dichlorobutane

(dichloromethyl)lithium

1.3-chlorobromopropane

1,4-dichlorobutane