BROMOBENZENE (13C6)

Base Information

• Chemical Name: BROMOBENZENE (13C6)
• CAS No.: 112630-77-0
• Molecular Formula: C6H5 Br
• Molecular Weight: 162.944
• Mol file: 112630-77-0.mol

Synonyms:Benzene-13C6,bromo- (9CI); Bromobenzene-13C6

Chemical Property of BROMOBENZENE (13C6)

Chemical Property:

• Melting Point: −31 °C(lit.)
• Refractive Index: n20/D 1.559(lit.)
• Boiling Point: 156 °C(lit.)
• Flash Point: 124 °F
• PSA: 0.00000
• Density: 1.547 g/mL at 25 °C
• LogP: 2.44910

Purity/Quality:

99% ^*data from raw suppliers

1-Bromobenzene-13C6 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,N
• Statements: 10-38-51/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of BROMOBENZENE (13C6)

There total 2 articles about BROMOBENZENE (13C6) 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: 70.0%

benzene-(13)C6 (32488-44-1) → bromobenzene-1,2,3,4,5,6-13C6 (112630-77-0,287399-23-9)

Guidance literature:

With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; trifluorormethanesulfonic acid; In dichloromethane;

DOI:10.1002/jlcr.1267

Reference yield:

[13C6]phenol (89059-34-7) → bromobenzene-1,2,3,4,5,6-13C6 (112630-77-0,287399-23-9)

Guidance literature:

With hydrogen bromide;

DOI:10.1002/jlcr.3193

Reference yield: 100.0%

n-butyllithium (109-72-8,29786-93-4) + bromobenzene-1,2,3,4,5,6-13C6 (112630-77-0,287399-23-9) → (13)C6 phenyl lithium (112630-78-1)

Guidance literature:

In tetrahydrofuran; cyclohexane; at -78 - -50 ℃; for 0.583333h;

upstream raw materials:

benzene-⁽¹³⁾C₆

[¹³C₆]phenol

Downstream raw materials:

[13C₇]benzoic acid

4-bromo-α-(phenyl[1,2,3,4,5,6-13C6])benzenemethanol

[phenyl-13C₆]6-methoxy-9-phenylphenalen-1-one

⁽¹³⁾C₆ phenyl lithium

Refernces

• 1、 -. "A stable isotope labeled 2 - isopropyl thioxanthone and its synthesis method". Paragraph 0057; 0126-0127; 0134-0135; 0142-0143; 0226. . Retrieved 2018/04/21.
• 2、 Diel, Bruce N.,Han, Mingcheng,Kole, Panna L.,Boaz, David B.. "Synthesis of (13C6-Ring-(U))-(±)-benzo(a) pyrene metabolites from (13C6-Ring-(U))benzene". . p. 551 - 553. Retrieved 2008/02/08.