2-Bromocyclohexanone

Base Information

• Chemical Name: 2-Bromocyclohexanone
• CAS No.: 822-85-5
• Molecular Formula: C₆H₉BrO
• Molecular Weight: 177.041
• Hs Code.: 2914700090
• European Community (EC) Number: 624-808-3
• DSSTox Substance ID: DTXSID30472791
• Nikkaji Number: J265.923I
• Mol file: 822-85-5.mol

Synonyms:2-bromocyclohexanone

Chemical Property of 2-Bromocyclohexanone

Chemical Property:

• Vapor Pressure: 0.191mmHg at 25°C
• Refractive Index: 1.516
• Boiling Point: 210.544 °C at 760 mmHg
• Flash Point: 83.69 °C
• PSA: 17.07000
• Density: 1.509 g/cm³
• LogP: 1.89300
• Storage Temp.: ?20°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 175.98368
• Heavy Atom Count: 8
• Complexity: 101

Purity/Quality:

99.9% ^*data from raw suppliers

2-Bromocyclohexanone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC(=O)C(C1)Br

Technology Process of 2-Bromocyclohexanone

There total 38 articles about 2-Bromocyclohexanone 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: 100.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 2-bromocyclohexanone (1056477-06-5,822-85-5)

Guidance literature:

With N-Bromosuccinimide; toluene-4-sulfonic acid; In dichloromethane; cyclohexanone; at 0 ℃; for 4h; Reflux;

Reference yield: 90.0%

1-ethoxycyclohexene (1122-84-5) → 2-bromocyclohexanone (1056477-06-5,822-85-5)

Guidance literature:

With lead(IV) acetate; sodium bromide; In methanol; at 0 ℃; for 0.166667h;

DOI:10.1055/s-1982-30047

Reference yield: 90.0%

N-Bromosuccinimide (128-08-5) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 2-bromocyclohexanone (1056477-06-5,822-85-5)

Guidance literature:

amberlyst-15; In ethyl acetate; at 20 ℃; for 0.416667h;

DOI:10.1016/j.tetlet.2004.11.140

upstream raw materials:

cyclohexanone

2-Chlorocyclohexanone

1-cyclohexenyl acetate

cyclohexanol

Downstream raw materials:

4,5,6,7-tetrahydrobenzo[d]thiazole

2-cyanocyclohexanone

2-(methylthio)cyclohexanone

2-acetoxycyclohexanone

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