2,5-Dibromotoluene

Base Information

• Chemical Name: 2,5-Dibromotoluene
• CAS No.: 615-59-8
• Molecular Formula: C7H6Br2
• Molecular Weight: 249.933
• Hs Code.: 29039990
• European Community (EC) Number: 210-437-0
• NSC Number: 6222
• UNII: BAX67T68IK
• DSSTox Substance ID: DTXSID1050389
• Nikkaji Number: J94.910H
• Wikidata: Q72465171
• Mol file: 615-59-8.mol

Synonyms:2,5-DIBROMOTOLUENE;615-59-8;1,4-Dibromo-2-methylbenzene;Benzene, 1,4-dibromo-2-methyl-;Toluene, 2,5-dibromo-;3,6-dibromotoluene;2,5-DIBROMO TOLUENE;2,5 Dibromotoluene;MFCD00000090;BAX67T68IK;NSC 6222;NSC-6222;EINECS 210-437-0;1,4-dibromo-2-methyl-benzene;NSC6222;2,5-dibromo-toluene;UNII-BAX67T68IK;1,4-DIBROMOTOLUENE;2,5-Dibromotoluene, 98%;Benzene,4-dibromo-2-methyl-;SCHEMBL177750;DTXSID1050389;1,4-Dibromo-2-methylbenzene #;AKOS015888805;AM62222;CS-W012652;DS-18293;SY010837;D2577;FT-0610284;EN300-91457;Z1262253894

Chemical Property of 2,5-Dibromotoluene

Chemical Property:

• Appearance/Colour: colorless to light yellow clear liquid
• Vapor Pressure: 0.0744mmHg at 25°C
• Melting Point: 5-6 °C
• Refractive Index: 1.601-1.603
• Boiling Point: 236 °C at 760 mmHg
• Flash Point: 107.9 °C
• PSA: 0.00000
• Density: 1.81 g/cm³
• LogP: 3.52000
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Sparingly), Ethyl Acetate (Slightly)
• XLogP3: 4.3
• 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

1,4-Dibromo-2-methylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)Br)Br
• Uses: 2,5-Dibromotoluene has been used:as internal standard for quantification of cyanide and thiocyanate in human saliva by GC-MSin the preparation of 2,5-bis(4′-alkoxycarbonylphenyl)styrenes, monomers required for the synthesis of mesogen-jacketed liquid-crystal polymers

Technology Process of 2,5-Dibromotoluene

There total 13 articles about 2,5-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: 94.0%

4-bromo-3-methylbenzenediazonium tetrafluoroborate → 1,4-dibromo-2-methylbenzene (615-59-8)

Guidance literature:

With potassium bromide; In acetonitrile; at 20 ℃; for 1h; Reagent/catalyst; Inert atmosphere;

DOI:10.1016/j.mencom.2018.05.010

Reference yield: 88.0%

amino-5-bromo-2-toluene (6933-10-4) → 1,4-dibromo-2-methylbenzene (615-59-8)

Guidance literature:

amino-5-bromo-2-toluene; With boron trifluoride diethyl etherate; lithium bromide; In acetonitrile; at 0 ℃; for 0.166667h;

With tert.-butylnitrite; In acetonitrile; at 0 - 20 ℃; for 1h;

DOI:10.1016/j.mencom.2018.05.010

Reference yield: 58.0%

4-Bromo-2-methylaniline (583-75-5) → 1,4-dibromo-2-methylbenzene (615-59-8)

Guidance literature:

4-Bromo-2-methylaniline; With hydrogen bromide; In water; at -5 ℃; for 0.333333h;

With sodium nitrite; In water; at -5 ℃; for 1h;

With hydrogen bromide; copper(I) bromide; In water; at 0 - 70 ℃; for 0.5h;

upstream raw materials:

2-methylphenyl bromide

N-(2-methylphenyl)acetamide

3-Methylacetanilide

amino-5-bromo-2-toluene

Downstream raw materials:

2,5-dibromobenzoic acid

2-methylterephthalic acid

4-bromo-3-methylbenzoic acid

2,4,5-tribromotoluene

Refernces

• 1、 -. "HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION". Page/Page column 109-110. . Retrieved 2010/11/27.
• 2、 -. "Heteroatom bridged metallocene compounds for olefin polymerization". . . Retrieved 2008/06/13.