Carbon-13C tetrabromide

Base Information

• Chemical Name: Carbon-13C tetrabromide
• CAS No.: 72802-79-0
• Molecular Formula: CBr4
• Molecular Weight: 332.616
• European Community (EC) Number: 693-100-4
• DSSTox Substance ID: DTXSID00482569
• Wikidata: Q82319034
• Mol file: 72802-79-0.mol

Synonyms:Carbon-13C tetrabromide;72802-79-0;tetrabromo(113C)methane;Tetrabromomethane-13C;DTXSID00482569;AKOS015913112;Carbon-13c tetrabromide,99 atom % 13c;Carbon-13C tetrabromide, 99 atom % 13C

Chemical Property of Carbon-13C tetrabromide

Chemical Property:

• Melting Point: 88-90 °C(lit.)
• Refractive Index: 1.694
• Boiling Point: 190 °C(lit.)
• PSA: 0.00000
• Density: 3.43 g/mL
• LogP: 3.17730
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 332.67261
• Heavy Atom Count: 5
• Complexity: 19.1

Purity/Quality:

97% ^*data from raw suppliers

Carbon-13C tetrabromide 99 atom % ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-41-37/38-22
• Safety Statements: 26-37/39-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(Br)(Br)(Br)Br
• Isomeric SMILES: [13C](Br)(Br)(Br)Br

Technology Process of Carbon-13C tetrabromide

There total 1 articles about Carbon-13C tetrabromide 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: 61.0%

acetophenone-β-13C (71777-36-1) → carbon-13C-tetrabromide (72802-79-0)

Guidance literature:

With sodium hypobromide; In water; at 0 - 20 ℃;

DOI:10.1002/hlca.200800446

Reference yield: 97.0%

carbon-13C-tetrabromide (72802-79-0) + benzaldehyde (100-52-7) → <1-13C>-1,1-Dibrom-2-phenylaethylen

Guidance literature:

carbon-¹³C-tetrabromide; With triphenylphosphine; In dichloromethane; at 20 ℃; for 0.166667h; Inert atmosphere;

benzaldehyde; In dichloromethane; at 0 ℃; for 1h; Inert atmosphere;

DOI:10.1002/anie.201814018

Reference yield: 90.5%

carbon-13C-tetrabromide (72802-79-0) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → <1'-13C>-1',1'-Dibrom-methylidencyclohexan (86127-94-8)

Guidance literature:

With triphenylphosphine; In benzene; at 80 ℃; for 14h;

DOI:10.1002/hlca.19830660128

upstream raw materials:

acetophenone-β-¹³C

Downstream raw materials:

<1'-13C>-1',1'-Dibrom-methylidencyclohexan

1-((3,3-dibromoallyloxy)methyl)-4-methoxybenzene

[3-(⁽¹³⁾C-dibromomethylene)penta-1,4-diyne-1,5-diyl]dibenzene

Refernces