2-Bromohexanoyl bromide

Base Information

• Chemical Name: 2-Bromohexanoyl bromide
• CAS No.: 54971-26-5
• Molecular Formula: C6H10 Br2 O
• Molecular Weight: 257.953
• Hs Code.: 2915900090
• European Community (EC) Number: 259-417-3
• DSSTox Substance ID: DTXSID10970321
• Nikkaji Number: J326.713J
• Mol file: 54971-26-5.mol

Synonyms:2-Bromohexanoyl bromide;54971-26-5;EINECS 259-417-3;2-Bromohexanoylbromide;Hexanoyl bromide, 2-bromo-;SCHEMBL931024;2-Bromohexanoyl bromide, 95%;DTXSID10970321;CSFUYRGXBNPTSR-UHFFFAOYSA-N;FT-0640283

Chemical Property of 2-Bromohexanoyl bromide

Chemical Property:

• Vapor Pressure: 0.256mmHg at 25°C
• Refractive Index: n20/D 1.503(lit.)
• Boiling Point: 85-90 °C12 mm Hg(lit.)
• Flash Point: >230 °F
• PSA: 17.07000
• Density: 1.628 g/mL at 25 °C(lit.)
• LogP: 2.86160
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 257.90779
• Heavy Atom Count: 9
• Complexity: 93.1

Purity/Quality:

98%Min ^*data from raw suppliers

2-Bromohexanoyl bromide 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34-36/37
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCC(C(=O)Br)Br

Technology Process of 2-Bromohexanoyl bromide

There total 1 articles about 2-Bromohexanoyl bromide 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:

hexanoic acid (142-62-1) → 2-bromohexanoyl bromide (54971-26-5,38532-59-1)

Guidance literature:

With phosphorus; bromine;

Reference yield: 82.0%

2-bromohexanoyl bromide (54971-26-5,38532-59-1) + phenol (108-95-2,27073-41-2) → 2-Bromo-hexanoic acid phenyl ester (167564-63-8)

Guidance literature:

With sulfuric acid; In toluene; for 5h; Heating;

DOI:10.1016/0040-4020(95)00039-B

Reference yield: 64.0%

2-bromohexanoyl bromide (54971-26-5,38532-59-1) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → α-bromohexanophenone (59774-06-0)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 12h;

DOI:10.1039/DT9950000587

upstream raw materials:

hexanoic acid

Downstream raw materials:

DL-norleucine amide

α-bromohexanophenone

2-Bromo-hexanoic acid phenyl ester

N-benzyl-N-phenyl-2-bromohexanamide