2,4-Dibromotoluene

Base Information

• Chemical Name: 2,4-Dibromotoluene
• CAS No.: 31543-75-6
• Molecular Formula: C7H6 Br2
• Molecular Weight: 249.933
• Hs Code.: 2903999090
• European Community (EC) Number: 250-689-9
• NSC Number: 139877
• UNII: 5KCL9II3NL
• DSSTox Substance ID: DTXSID0067632
• Nikkaji Number: J88.730G
• Wikidata: Q72465164
• Mol file: 31543-75-6.mol

Synonyms:2,4-Dibromotoluene;31543-75-6;2,4-dibromo-1-methylbenzene;Benzene, 2,4-dibromo-1-methyl-;2,4-Dibromo Toluene;MFCD00052985;5KCL9II3NL;EINECS 250-689-9;2,4-bromotoluene;NSC 139877;NSC-139877;Brc1cc(Br)ccc1C;NSC139877;2,4-dibromo-toluene;UNII-5KCL9II3NL;1,3-Dibromo-4-methylbenzene;SCHEMBL686930;2,4-dibromo-1-methyl-benzene;DTXSID0067632;GHWYNNFPUGEYEM-UHFFFAOYSA-;TOLUENE, 2,4-DIBROMO-;STL282715;AKOS005258124;CS-W002258;GS-4100;AC-25929;SY018606;AM20060128;D3591;FT-0609995;A19660;EN300-1895824

Chemical Property of 2,4-Dibromotoluene

Chemical Property:

• Vapor Pressure: 0.0544mmHg at 25°C
• Melting Point: -10 °C
• Refractive Index: 1.587
• Boiling Point: 241.9 °C at 760 mmHg
• Flash Point: 109 °C
• PSA: 0.00000
• Density: 1.81 g/cm³
• LogP: 3.52000
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 249.88158
• Heavy Atom Count: 9
• Complexity: 92.9

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dibromotoluene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)Br)Br

Technology Process of 2,4-Dibromotoluene

There total 19 articles about 2,4-Dibromotoluene 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: 97.0%

3-bromo-4-methylbenzenediazonium tetrafluoroborate → 2,4-dibromotoluene (31543-75-6)

Guidance literature:

With dibenzo-18-crown-6; potassium bromide; copper(ll) bromide; 1,10-Phenanthroline; copper(I) bromide; In acetonitrile; at 20 ℃; for 0.333333h;

DOI:10.1055/s-2007-983784

Reference yield: 90.0%

3-bromo-4-methylaniline (7745-91-7) → 2,4-dibromotoluene (31543-75-6)

Guidance literature:

3-bromo-4-methylaniline; With hydrogen bromide; sodium nitrite; at 0 ℃;

With hydrogen bromide; copper(I) bromide; for 0.666667h; Further stages.; Heating;

DOI:10.1016/j.tetlet.2007.09.057

Reference yield: 80.0%

toluene (108-88-3,15644-74-3,16713-13-6) → 2,4-dibromotoluene (31543-75-6)

Guidance literature:

With bromine fluoride; In ethanol; chloroform; at -78 ℃; for 0.333333h;

DOI:10.1021/jo00258a030

upstream raw materials:

3-bromo-4-methylaniline

para-bromotoluene

2-methylphenyl bromide

5-bromo-2-methylaniline

Downstream raw materials:

para-bromotoluene

2,4,5-tribromotoluene

2,4-dibromo-1-(bromomethyl)benzene

2,4-dibromobenzoic acid

Refernces

• 1、 Sobolev, Vasily I.,Filimonov, Victor D.,Ostvald, Roman V.,Radchenko, Vyacheslav B.,Zherin, Ivan I.. "Reactivity of alkali and alkaline earth metal tetrafluorobromates towards aromatic compounds and pyridine". . p. 120 - 123. Retrieved 2016/11/17.
• 2、 Beletskaya, Irina P.,Sigeev, Alexander S.,Peregudov, Alexander S.,Petrovskii, Pavel V.. "Catalytic Sandmeyer bromination". . p. 2534 - 2538. Retrieved 2008/03/13.