3,4-Dibromotoluene

Base Information

• Chemical Name: 3,4-Dibromotoluene
• CAS No.: 60956-23-2
• Molecular Formula: C7H6 Br2
• Molecular Weight: 249.933
• Hs Code.: 2903999090
• European Community (EC) Number: 612-055-3
• NSC Number: 139879
• DSSTox Substance ID: DTXSID90209782
• Nikkaji Number: J90.123G
• Wikidata: Q72465168
• Mol file: 60956-23-2.mol

Synonyms:3,4-Dibromotoluene;60956-23-2;1,2-dibromo-4-methylbenzene;Benzene, 1,2-dibromo-4-methyl-;2943-34-2;MFCD00079744;3,4-Dibromtoluol;Brc1cc(C)ccc1Br;NSC139879;3,4-Dibromotoluene, 97%;SCHEMBL171890;1,2-dibromo-4-methyl-benzene;DTXSID90209782;CK2357;AKOS015834613;CS-W012651;NSC 139879;NSC-139879;AC-25931;DS-18165;SY016350;D2462;FT-0614212;FT-0614213;FT-0658611;A19662;EN300-1893538;A850100;J-640219;J-800220

Chemical Property of 3,4-Dibromotoluene

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 0.0343mmHg at 25°C
• Melting Point: -10 °C
• Refractive Index: 1.5985-1.6005
• Boiling Point: 91-92 °C (3 mmHg)，250.5 °C at 760 mmHg
• Flash Point: 115.9 °C
• PSA: 0.00000
• Density: 1,85 g/cm³
• LogP: 3.52000
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Not miscible or difficult to mix with water.
• 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

3,4-Dibromotoluene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)Br)Br
• Uses: It can be used in organic synthesis.

Technology Process of 3,4-Dibromotoluene

There total 19 articles about 3,4-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:

meta-bromotoluene (591-17-3) → 1,4-dibromo-2-methylbenzene (615-59-8) + 3,5-dibromotoluene (1611-92-3) + 3,4-dibromotoluene (60956-23-2)

Guidance literature:

bei der Bromierung;

Reference yield:

→ meta-bromotoluene (591-17-3) + 3,4-dibromotoluene (60956-23-2)

Guidance literature:

With tetrachloromethane; bromine;

DOI:10.1021/ja01163a105

Reference yield:

p-toluidine (106-49-0,12221-03-3) → para-bromotoluene (106-38-7) + 3,4-dibromotoluene (60956-23-2) + 1-methyl-3,4,5-tribromobenzene (73557-59-2)

Guidance literature:

With tert.-butylnitrite; copper(ll) bromide; In acetonitrile; at 65 ℃; for 0.25h; Product distribution;

DOI:10.1021/jo01301a004

upstream raw materials:

para-bromotoluene

2-bromo-p-toluidine

2-bromo-5-methylaniline

4-Methylacetanilide

Downstream raw materials:

2,4,5-tribromotoluene

3,4-dibromobenzoic acid

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

3,4-dibromo-2,6-dinitro-toluene

Refernces

• 1、 Doyle, Michael P.,Lente, Michael A. van,Mowat, Rex,Fobare, William F.. "Alkyl Nitrite-Metal Halide Deamination Reactions. 7. Synthetic Coupling of Electrophilic Bromination with Substitutive Deamination for Selective Synthesis of Multiply Brominated Aromatic Compounds from Arylamines". . p. 2570 - 2575. Retrieved 2007/10/02.