3,5-Dibromotoluene

Base Information

• Chemical Name: 3,5-Dibromotoluene
• CAS No.: 1611-92-3
• Molecular Formula: C7H6Br2
• Molecular Weight: 249.933
• Hs Code.: 29039990
• NSC Number: 87347
• DSSTox Substance ID: DTXSID80167064
• Nikkaji Number: J109.499H
• Wikidata: Q72465159
• Mol file: 1611-92-3.mol

Synonyms:3,5-DIBROMOTOLUENE;1611-92-3;1,3-dibromo-5-methylbenzene;Benzene, 1,3-dibromo-5-methyl-;Toluene, 3,5-dibromo-;MFCD00013528;1,3-dibromo-5-methyl-benzene;3,5-Dibromtoluol;NSC87347;3,5-dibromo-toluene;NCIOpen2_005408;3,5-Dibromotoluene, 97%;Benzene,3-dibromo-5-methyl-;SCHEMBL156099;1,3 Dibromo -5-methyl benzene;DTXSID80167064;HMS1662K01;BCP30602;CCG-40601;CK2342;NSC 87347;NSC-87347;AKOS005257027;CS-W012650;PS-7488;AC-25932;SY016909;AM20030083;D3376;FT-0658248;A19663;EN300-103755;A833301;SR-01000630730-1;F0001-0577;1,4-Dibromo-2-methylbenzene;1,3-dibromo-5-methylbenzene pound>>Benzene, 1,3-dibromo-5-methyl-

Chemical Property of 3,5-Dibromotoluene

Chemical Property:

• Appearance/Colour: slightly yellow crystalline solid
• Vapor Pressure: 0.0436mmHg at 25°C
• Melting Point: 37-41 ºC
• Refractive Index: 1.587
• Boiling Point: 246 °C at 760 mmHg
• Flash Point: 108.7 °C
• PSA: 0.00000
• Density: 1.81 g/cm³
• LogP: 3.52000
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• 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: 82.9

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dibromotoluene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1)Br)Br
• Uses: 3,5-Dibromotoluene was used in the preparation of 3,5-bis(diphenylphosphinothioyl)toluene.

Technology Process of 3,5-Dibromotoluene

There total 16 articles about 3,5-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: 100.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3-bromo-5-methylbenzaldehyde (1611-92-3,188813-04-9)

Guidance literature:

3,5-dibromotoluene; With n-butyllithium; butyl magnesium bromide; In tetrahydrofuran; hexane; toluene; at -17 - 13 ℃; for 7.31667h;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; toluene; at -16 - 12 ℃; for 1.63333h;

Reference yield: 95.0%

5-bromo-1,3-xylene (556-96-7) → 3-bromo-5-methylbenzaldehyde (1611-92-3,188813-04-9)

Guidance literature:

With dipotassium peroxodisulfate; ferrocene; iron(II) acetylacetonate; In water; acetonitrile; at 80 ℃; for 3h;

Reference yield: 94.0%

3,5-dibromotoluene (1611-92-3) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3-bromo-5-methylbenzaldehyde (1611-92-3,188813-04-9)

Guidance literature:

3,5-dibromotoluene; With n-butyllithium; In diethyl ether; hexane; at -78 ℃; for 1h;

N,N-dimethyl-formamide; In diethyl ether; hexane; at -78 ℃; for 1h; Further stages.;

DOI:10.1016/j.tetlet.2007.10.118

upstream raw materials:

ethanol

2,6-Dibromo-4-methylaniline

2,4-dibromo-6-methylaniline

1,3,5-trisbromobenzene

Downstream raw materials:

orcinol

3,3'-dimethyl-biphenyl

3,5-dibromobenzoic acid

1,3-dibromo-5-methyl-2,4,6-trinitro-benzene

Refernces

• 1、 -. "LIGHT INDUCED CATALYTIC C-H OXYGENATION OF ALKANES". Paragraph 00219. . Retrieved 2021/04/02.
• 2、 -. "Method for synthesizing aromatic aldehyde, aromatic ketone and aromatic ester through catalytically oxidizing alkyl aromatic compound by iron". Paragraph 0054; 0055. . Retrieved 2017/10/13.