1,2-Dibromocyclohexane

Base Information

• Chemical Name: 1,2-Dibromocyclohexane
• CAS No.: 5401-62-7
• Molecular Formula: C6H10 Br2
• Molecular Weight: 241.953
• Hs Code.: 2903890090
• European Community (EC) Number: 226-449-4
• NSC Number: 1239
• DSSTox Substance ID: DTXSID90883925
• Nikkaji Number: J43.303I
• Mol file: 5401-62-7.mol

Synonyms:1,2-dibromocyclohexane;1,2-trans-dibromocyclohexane

Chemical Property of 1,2-Dibromocyclohexane

Chemical Property:

• Vapor Pressure: 0.166mmHg at 25°C
• Melting Point: 163.5-164 °C (decomp)(Solv: ethyl acetate (141-78-6); carbon tetrachloride (56-23-5))
• Boiling Point: 220.5°Cat760mmHg
• Flash Point: 91.5°C
• PSA: 0.00000
• Density: 1.789g/cm³
• LogP: 3.08740
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 241.91288
• Heavy Atom Count: 8
• Complexity: 62.9

Purity/Quality:

99% ^*data from raw suppliers

1,2-Dibromocyclohexane ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

Useful:

• Chemical Classes: Other Classes -> Halogenated Cyclic Hydrocarbons
• Canonical SMILES: C1CCC(C(C1)Br)Br

Technology Process of 1,2-Dibromocyclohexane

There total 74 articles about 1,2-Dibromocyclohexane 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: 95.0%

cyclohexene (110-83-8) → 1,2-dibromocyclohexane (5401-62-7)

Guidance literature:

With poly(diallyldimethylammonium chloride) supported tribromide; for 0.166667h;

DOI:10.1002/cjoc.201090367

Reference yield: 90.0%

cyclohexene (110-83-8) → 1,2-dibromocyclohexane (5401-62-7) + 2-bromo-cyclohexanol (24796-87-0,5537-67-7)

Guidance literature:

With sol-gel entrapped pyridinium hydrobromide perbromide; In hexane; at 65 ℃; for 7h;

DOI:10.1002/ejoc.200500982

Reference yield: 87.0%

cyclohexene (110-83-8) → 2-bromocyclohexanone (1056477-06-5,822-85-5) + 1,2-dibromocyclohexane (5401-62-7)

Guidance literature:

With sodium bromite; In water; acetic acid; for 5h; Yields of byproduct given; Ambient temperature;

DOI:10.1246/cl.1983.1481

upstream raw materials:

1-bromocyclohexane

N-bromophthalimide

cyclohexene

2-bromocyclocyclohexanol

Downstream raw materials:

4-(cyclohex-2-en-1-yl)morpholine

cyclohexa-1,3-diene

cyclohexene

tetraethyl ethane-1,1,2,2-tetracarboxylate