5-Bromo-1,2,4-trimethylbenzene

Base Information

• Chemical Name: 5-Bromo-1,2,4-trimethylbenzene
• CAS No.: 5469-19-2
• Molecular Formula: C9H11 Br
• Molecular Weight: 199.09
• Hs Code.: 2903999090
• European Community (EC) Number: 226-793-5
• NSC Number: 26913
• DSSTox Substance ID: DTXSID90203144
• Nikkaji Number: J210.546B
• Wikidata: Q83076499
• Mol file: 5469-19-2.mol

Synonyms:1-Bromo-2,4,5-trimethylbenzene;5469-19-2;5-Bromo-1,2,4-trimethylbenzene;5-Bromopseudocumene;Benzene, 1-bromo-2,4,5-trimethyl-;EINECS 226-793-5;NSC26913;2,4,5-Trimethylbromobenzene;SCHEMBL133345;DTXSID90203144;5-bromo- 1,2,4-trimethylbenzene;1-Bromo-2,4,5-trimethylbenzene #;MFCD00000072;NSC 26913;NSC-26913;AKOS015889075;CS-W010515;5-Bromo-1,2,4-trimethylbenzene, 99%;AS-60105;AM20040690;FT-0689555;EN300-83953;A870380;J-516775;Z1250002649

Chemical Property of 5-Bromo-1,2,4-trimethylbenzene

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 0.0818mmHg at 25°C
• Melting Point: 70-73 °C
• Refractive Index: 1.5482 (estimate)
• Boiling Point: 233-235 °C
• Flash Point: 113°C
• PSA: 0.00000
• Density: 1.12g/cm³
• LogP: 3.37430
• 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: 198.00441
• Heavy Atom Count: 10
• Complexity: 111

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-2,4,5-trimethylbenzene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C)Br)C
• Uses: 5-Bromo-1,2,4-trimethylbenzene was used in the preparation of: 1′,2′-dideoxy-1′-(1,2,4-trimethylphenyl)-3′,5′-di-O-toluoyl-β-D-ribofuranoseubiquinones, also referred as Coenzyme Qn2, 4, 5-trimethylbenzoic acid

Technology Process of 5-Bromo-1,2,4-trimethylbenzene

There total 19 articles about 5-Bromo-1,2,4-trimethylbenzene 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: 97.3%

1,2,4-Trimethylbenzene (95-63-6) → 1-bromo-2,4,5-trimethylbenzene (5469-19-2)

Guidance literature:

With sulfuric acid; dihydrogen peroxide; iodine; iron(II) sulfate; sodium bromide; In dichloromethane; water; at 0 ℃;

Reference yield:

2,4,5-trimethylbenzenesulfonic acid (3453-84-7) → 1-bromo-2,4,5-trimethylbenzene (5469-19-2)

Guidance literature:

With hydrogenchloride; bromine;

Reference yield:

2,4,5-trimethylbenzenesulfonic acid (3453-84-7) → 1-bromo-2,4,5-trimethylbenzene (5469-19-2) + 3-bromo-2,4,5-trimethylbenzenesulfonic acid (82940-81-6)

Guidance literature:

With water; bromine;

upstream raw materials:

1,2,4-Trimethylbenzene

2,4,5-trimethylaniline

2,4,5-trimethylbenzenesulfonic acid

1-bromo-2,5-bis(chloromethyl)-4-methylbenzene

Downstream raw materials:

4-bromo-3-nitro-1,2,5-trimethylbenzene

1,2,4-tribromo-3,5,6-trimethyl-benzene

trimethyl 5-bromobenzene-1,2,4-tricarboxylate

3-butyl-2,5,6-trimethylbenzaldehyde

Refernces

• 1、 Shaposhnikov,Maizlish,Kulinich. "Carboxy-substituted phthalocyanine metal complexes". . p. 1480 - 1488. Retrieved 2005.
• 2、 Naresh, Mameda,Arun Kumar, Macharla,Mahender Reddy, Marri,Swamy, Peraka,Nanubolu, Jagadeesh Babu,Narender, Nama. "Fast and efficient bromination of aromatic compounds with ammonium bromide and Oxone". . p. 1497 - 1504. Retrieved 2013/06/27.