3-Bromo-1,1-dichloropropane

Base Information

• Chemical Name: 3-Bromo-1,1-dichloropropane
• CAS No.: 36668-45-8
• Molecular Formula: C₃H₅BrCl₂
• Molecular Weight: 191.883
• DSSTox Substance ID: DTXSID90190121
• Nikkaji Number: J1.618.574D
• Wikidata: Q83062406
• Mol file: 36668-45-8.mol

Synonyms:3-BROMO-1,1-DICHLOROPROPANE;36668-45-8;1,1-Dichloro-3-bromopropane;1-bromo-3,3-dichloropropane;SCHEMBL6048310;DTXSID90190121

Chemical Property of 3-Bromo-1,1-dichloropropane

Chemical Property:

• Vapor Pressure: 2.25mmHg at 25°C
• Boiling Point: 167.4°Cat760mmHg
• Flash Point: 62.2°C
• Density: 1.677g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 189.89517
• Heavy Atom Count: 6
• Complexity: 30

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CBr)C(Cl)Cl

Technology Process of 3-Bromo-1,1-dichloropropane

There total 6 articles about 3-Bromo-1,1-dichloropropane 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: 37.0%

1,1,3-trichloropropane (20395-25-9) → 1,1-dichloro-3-bromopropane (36668-45-8)

Guidance literature:

With sodium bromide; In ethanol; at 120 ℃; for 4h;

Reference yield:

1-chloro-1,3-dibromopropane (6100-83-0) → 1,1,3-trichloropropane (23511-78-6) + 1,1-dichloro-3-bromopropane (36668-45-8)

Guidance literature:

With iron pentacarbonyl; N,N-dimethyl-formamide; at 130 ℃; for 4h; Product distribution; other reagent;

DOI:10.1007/BF00955295

Reference yield:

chloroethylene (75-01-4,9002-86-2) + 1,1-dibromomethane (74-95-3) → 1,1,3-trichloropropane (23511-78-6) + 1,1-dichloro-3-bromopropane (36668-45-8) + 1-chloro-1,3-dibromopropane (6100-83-0) + 1-bromo-3,5,5-trichloropentane (79272-24-5) + 1,3-dichloro-1,5-dibromopentane (75677-93-9) + 1-chloro-1,3,5-tribromopentane (75677-92-8)

Guidance literature:

With iron pentacarbonyl; N,N-dimethyl-formamide; at 130 ℃; for 4h; Product distribution; other reagent, time, temperature;

DOI:10.1007/BF00955295

upstream raw materials:

bromodichloromethane

ethene

3,3-dichloropropene

1,1,3-trichloropropane

Downstream raw materials:

1,1-Dichloro-4-phenylbutan

6,6-Dichlor-1-hexen