1-Bromobutane

Base Information

• Chemical Name: 1-Bromobutane
• CAS No.: 109-65-9
• Deprecated CAS: 2092429-10-0
• Molecular Formula: C4H9Br
• Molecular Weight: 137.019
• Hs Code.: 2903.30 Oral rat LD50: 2761 mg/kg
• European Community (EC) Number: 203-691-9
• UN Number: 1126
• UNII: SAV6Y78U3D
• DSSTox Substance ID: DTXSID6021903
• Nikkaji Number: J2.434A
• Wikipedia: 1-Bromobutane
• Wikidata: Q59081
• ChEMBL ID: CHEMBL160949
• Mol file: 109-65-9.mol

Synonyms:1-bromobutane;butyl bromide;butylbromide

Chemical Property of 1-Bromobutane

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow liquid
• Vapor Pressure: 150 mm Hg ( 50 °C)
• Melting Point: -112 °C
• Refractive Index: n20/D 1.439(lit.)
• Boiling Point: 101.6 °C at 760 mmHg
• Flash Point: 23.9 °C
• PSA: 0.00000
• Density: 1.271 g/cm³
• LogP: 2.18140
• Storage Temp.: Flammables area
• Solubility.: 0.6g/l
• Water Solubility.: 0.608 g/L (30 ºC)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 135.98876
• Heavy Atom Count: 5
• Complexity: 13.1
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99.5% ^*data from raw suppliers

n-Butyl bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: F,Xi,N
• Statements: 11-36/37/38-51/53-10
• Safety Statements: 16-26-60-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Saturated
• Canonical SMILES: CCCCBr
• Uses: 1-Bromobutane is used as an intermediate in organic synthesis and as a solvent for cleaning and degreasing. It acts as an alkylating agent as well as to prepare organometallic compounds such as n-butyllithium. It is also involved in the synthesis of procaine and tetracaine. It reacts with magnesium metal to prepare the Grignard reagent, which is used to form carbon-carbon bonds.

Technology Process of 1-Bromobutane

There total 155 articles about 1-Bromobutane 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: 5.0%

n-Butyl chloride (109-69-3) → 1-bromo-butane (109-65-9) + t-butyl bromide (507-19-7) + s-butyl bromide (78-76-2,5787-31-5)

Guidance literature:

With hydrogen bromide; ferric(III) bromide; In dichloromethane; at 25 ℃; for 15h;

DOI:10.1039/c39870001013

Reference yield: 0.186%

n-butane (106-97-8,9003-29-6,9021-92-5) → 1-bromo-butane (109-65-9) + s-butyl bromide (78-76-2,5787-31-5)

Guidance literature:

With N-Bromosuccinimide; 1,1-Dichloroethylene; In dichloromethane; at 14 - 15 ℃;

DOI:10.1021/ja00389a059

Reference yield:

dibutyl phosphorobromidite (53764-94-6) + butan-1-ol (71-36-3) → 1-bromo-butane (109-65-9) + dibutyl hydrogen phosphite (1809-19-4)

Guidance literature:

upstream raw materials:

1-butylene

n-butyl magnesium bromide

diethyl sulfate

diethyl ether

Downstream raw materials:

1-butylpyrrolidine

1-butyl-piperidine

2-butylthiophene

1-butylpyridinium bromide

Refernces

Physicochemical properties of new imidazolium-based ionic liquids containing aromatic group

10.1021/acs.jced.5b00983

The study investigates the physicochemical and thermal properties of three novel imidazolium-based ionic liquids containing aromatic groups in the cation combined with the bis(trifluoromethylsulfonyl)imide anion. The chemicals involved include benzimidazole, 1-bromobutane, 2-phenylimidazole, 1-butylimidazole, benzyl chloride, and sodium bis(trifluoromethylsulfonyl)imide. These chemicals are used to synthesize the ionic liquids through a two-step procedure. The synthesized ionic liquids are 1-butyl-3H-benzoimidazolium bis(trifluoromethylsulfonyl)imide [BzBIm][NTf2], 1-butyl-2-phenyl-imidazolium bis(trifluoromethylsulfonyl)imide [BPhIm][NTf2], and 1-benzyl-3-butyl-imidazolium bis(trifluoromethylsulfonyl)imide [BnBIm][NTf2]. The study measures their density, viscosity, thermal decomposition, glass transition, and heat capacity at various temperatures and atmospheric pressure. The results show that the presence of different types of aromatic groups in the ILs structures significantly influences their physicochemical properties, notably through the number of available degrees of freedom by strengthening or weakening intermolecular π?π interactions.