1,3-Dibromo-1,1-difluorobutane

Base Information

• Chemical Name: 1,3-Dibromo-1,1-difluorobutane
• CAS No.: 406-42-8
• Molecular Formula: C₄H₆Br₂F₂
• Molecular Weight: 251.896
• Hs Code.: 2903780090
• European Community (EC) Number: 670-855-8
• DSSTox Substance ID: DTXSID90371579
• Mol file: 406-42-8.mol

Synonyms:1,3-dibromo-1,1-difluorobutane;406-42-8;1,3-Dibromo-1,1-difluorobutane, tech.;DTXSID90371579;DYWJVIZPXZXUML-UHFFFAOYSA-N;MFCD00077496;AKOS007930328;FT-0715242

Chemical Property of 1,3-Dibromo-1,1-difluorobutane

Chemical Property:

• Vapor Pressure: 6.6mmHg at 25°C
• Melting Point: 62-64 ºC
• Refractive Index: 1.4489
• Boiling Point: 143.8 °C at 760 mmHg
• Flash Point: 40.8°C
• PSA: 0.00000
• Density: 1.904 g/cm³
• LogP: 3.14760
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 251.87838
• Heavy Atom Count: 8
• Complexity: 74.4

Purity/Quality:

98%Min ^*data from raw suppliers

1,3-Dibromo-1,1-difluorobutane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(F)(F)Br)Br

Technology Process of 1,3-Dibromo-1,1-difluorobutane

There total 2 articles about 1,3-Dibromo-1,1-difluorobutane 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:

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + dibromodifluoromethane (75-61-6) → 1-bromo-1,1-difluoro-but-2-ene (406-36-0) + 1,3-dibromo-1,1-difluoro-butane (406-42-8)

Guidance literature:

With dibenzoyl peroxide;

DOI:10.1021/ja01642a028

Reference yield:

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + dibromodifluoromethane (75-61-6) + dibenzoyl peroxide (94-36-0) → 1,3-dibromo-1,1-difluoro-butane (406-42-8)

Guidance literature:

at 80 ℃; analoge Reaktionen mit Aethylen, Isobutylen und weiteren Alkenen;

DOI:10.1021/ja01575a041 DOI:10.1021/ja01642a028

Reference yield:

1,3-dibromo-1,1-difluoro-butane (406-42-8) → 3-bromo-1,1,1-trifluorobutane (406-47-3)

Guidance literature:

With hydrogen fluoride; antimonypentachloride; at 135 ℃;

DOI:10.1021/ja01540a050

upstream raw materials:

propene

dibromodifluoromethane

dibenzoyl peroxide

Downstream raw materials:

3-bromo-1,1,1-trifluorobutane