2,4,6-Tribromotoluene

Base Information

• Chemical Name: 2,4,6-Tribromotoluene
• CAS No.: 6320-40-7
• Molecular Formula: C7H5Br3
• Molecular Weight: 328.829
• Hs Code.: 29039990
• European Community (EC) Number: 228-672-2
• NSC Number: 31887
• DSSTox Substance ID: DTXSID60212566
• Nikkaji Number: J206.916D
• Wikidata: Q72509948
• Mol file: 6320-40-7.mol

Synonyms:2,4,6-Tribromotoluene;6320-40-7;1,3,5-tribromo-2-methylbenzene;Benzene, 1,3,5-tribromo-2-methyl-;C7H5Br3;2,4,6,Tribromotoluene;EINECS 228-672-2;MFCD00013527;NSC31887;2,4,6-Tribromtoluol;2,4,6-Tribrom-toluol;SCHEMBL642403;C7-H5-Br3;DTXSID60212566;BCP34575;CK1104;NSC 31887;NSC-31887;AKOS015889067;AM83280;CS-W009419;DS-6312;AC-28590;SY022897;FT-0609845;1,3,5-Tribromo-2-methylbenzene

Chemical Property of 2,4,6-Tribromotoluene

Chemical Property:

• Appearance/Colour: Yellow powder
• Vapor Pressure: 0.00356mmHg at 25°C
• Melting Point: 68-71 °C(lit.)
• Refractive Index: 1.619
• Boiling Point: 290.7 °C at 760 mmHg
• Flash Point: 127.6 °C
• PSA: 0.00000
• Density: 2,479 g/cm³
• LogP: 4.28250
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• Water Solubility.: Insoluble in water.
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 327.79209
• Heavy Atom Count: 10
• Complexity: 103

Purity/Quality:

98.00% ^*data from raw suppliers

2,4,6-Tribromotoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1Br)Br)Br
• Uses: 2,4,6-Tribromotoluene acts as a reagent in the synthesis of non-proteinogenic α-amino acids.

Technology Process of 2,4,6-Tribromotoluene

There total 11 articles about 2,4,6-Tribromotoluene 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: 96.0%

3-Methyl-2,4,6-tribromobenzenediazonium tetrafluoroborate → 2,4,6-tribromotoluene (6320-40-7)

Guidance literature:

With iron(II) sulfate; N,N-dimethyl-formamide; In water;

DOI:10.1002/jlcr.2580360311

Reference yield:

toluene (108-88-3,15644-74-3,16713-13-6) → pentabromotoluene (87-83-2,26101-97-3) + 2,4,6-tribromotoluene (6320-40-7) + 2,3,6-tribromo-toluene (116779-85-2) + 2,3,4-tribromo-toluene (93701-30-5) + methyl-1,2,5-tribromobenzene (140141-58-8)

Guidance literature:

toluene; With bromine; aluminum (III) chloride; In 1,1-dibromomethane; at 25 ℃;

With sodium hydrogen sulfite; water; at 45 - 65 ℃; for 1h; Product distribution / selectivity;

Reference yield:

3-methyl-2,4,6-tribromoaniline (71642-16-5) → 2,4,6-tribromotoluene (6320-40-7)

Guidance literature:

With sulfuric acid; sodium nitrite; Behandlung der erhaltenen Diazoniumsalz-Loesung mit wss. H₃PO₂ unterhalb 5grad;

upstream raw materials:

3,5-dibromo-4-methylaniline

3-methyl-2,4,6-tribromoaniline

tetrachloromethane

2,4-dibromotoluene

Downstream raw materials:

2,4,6-tribromobenzoic acid

2,4,6-tribromobenzaldehyde

2,4,6-tribromo-1-(bromomethyl)benzene

2,4,6-tris(4-carboxyphenyl)toluene

Refernces

• 1、 Wassmundt, Frederick W.,Kiesman, William F.. "Efficient Catalysis of Hydrodediazoniations in Dimethylformamide". . p. 1713 - 1719. Retrieved 2007/10/02.