1,1,2-Trichlorobutane

Base Information

• Chemical Name: 1,1,2-Trichlorobutane
• CAS No.: 66675-32-9
• Molecular Formula: C4H7Cl3
• Molecular Weight: 161.459
• Hs Code.: 2903199000
• DSSTox Substance ID: DTXSID50600731
• Nikkaji Number: J87.956H
• Mol file: 66675-32-9.mol

Synonyms:1,1,2-Trichlorobutane;66675-32-9;SCHEMBL10456884;DTXSID50600731;QTGPHUZCDZCBGZ-UHFFFAOYSA-N

Chemical Property of 1,1,2-Trichlorobutane

Chemical Property:

• Melting Point: -6°C (estimate)
• Refractive Index: 1.4629 (estimate)
• Boiling Point: 151.13°C (estimate)
• PSA: 0.00000
• Density: 1.2667 (estimate)
• LogP: 2.80750
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 159.961333
• Heavy Atom Count: 7
• Complexity: 44.2

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(Cl)Cl)Cl

Technology Process of 1,1,2-Trichlorobutane

There total 4 articles about 1,1,2-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: 46.0%

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + chloroform (67-66-3,8013-54-5) → isopropyl chloride (75-29-6) + 1,1,2-trichloro-butane (66675-32-9) + 1,1,3-trichloro-2-methyl-propane (62108-65-0)

Guidance literature:

With RhCl(PPh₃)3; at 200 ℃; for 3h;

DOI:10.1007/BF00961299

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

upstream raw materials:

1,1-dichlorobutane

1,2-dichlorobutane

propene

chloroform

Downstream raw materials:

1,1-dichloro-but-1-ene