2-Bromo-5-chlorotoluene

Base Information

• Chemical Name: 2-Bromo-5-chlorotoluene
• CAS No.: 14495-51-3
• Molecular Formula: C7H6BrCl
• Molecular Weight: 205.482
• Hs Code.: 29039990
• European Community (EC) Number: 238-503-4
• UNII: SKU92X9K9G
• DSSTox Substance ID: DTXSID90162848
• Nikkaji Number: J149.791J
• Wikidata: Q72453686
• Mol file: 14495-51-3.mol

Synonyms:2-Bromo-5-chlorotoluene;14495-51-3;1-Bromo-4-chloro-2-methylbenzene;Benzene, 1-bromo-4-chloro-2-methyl-;Toluene, 2-bromo-5-chloro-;1-Bromo-4-chloro-2-methyl-benzene;EINECS 238-503-4;MFCD00000602;5-chloro-2-bromotoluene;6-Bromo-3-chlorotoluene;2-bromo-5-chloro-toluene;SKU92X9K9G;SCHEMBL531769;1-bromo-2-methyl4-chlorobenzene;2-Bromo-5-chlorotoluene, 97%;DTXSID90162848;1-bromo-2-methyl-4-chlorobenzene;1-Bromo-4-chloro-2-methylbenzene #;AKOS015842238;Benzene, 1-bromo-4-chloro-6-methyl-;CS-W015363;1-bromanyl-4-chloranyl-2-methyl-benzene;AC-25917;SY003795;A3144;AM20060509;B1427;FT-0611480;EN300-80697;F11211;A808299;J-508354

Chemical Property of 2-Bromo-5-chlorotoluene

Chemical Property:

• Appearance/Colour: Clear colourless to slightly orange liquid
• Vapor Pressure: 0.179mmHg at 25°C
• Refractive Index: n20/D 1.575(lit.)
• Boiling Point: 219.1 °C at 760 mmHg
• Flash Point: 95.6 °C
• PSA: 0.00000
• Density: 1.535 g/cm³
• LogP: 3.41090
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: INSOLUBLE
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 203.93414
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-5-chlorotoluene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)Cl)Br
• Uses: 2-Bromo-5-chlorotoluene has been used in the preparation of 4-chloro-2-methylbenzophenone.

Technology Process of 2-Bromo-5-chlorotoluene

There total 8 articles about 2-Bromo-5-chlorotoluene 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: 90.0%

amino-5-bromo-2-toluene (6933-10-4) → 2-bromo-5-chlorotoluene (14495-51-3)

Guidance literature:

amino-5-bromo-2-toluene; With boron trifluoride diethyl etherate; tetraethylammonium chloride; 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:

1-chloro-3-methylbenzene (108-41-8) → 2-bromo-5-chlorotoluene (14495-51-3) + m-Chlorobenzaldehyde (587-04-2)

Guidance literature:

With potassium permanganate; alkyl carboxylic acid; corresponding anhydride; potassium bromide; Yield given. Yields of byproduct given; Heating;

DOI:10.1021/jo00335a048

Reference yield:

1-chloro-3-methylbenzene (108-41-8) → 2-bromo-5-chlorotoluene (14495-51-3)

Guidance literature:

With aluminium amalgam; durch Bromieren;

upstream raw materials:

1-chloro-3-methylbenzene

sulfuric acid

bromine

acetic acid

Downstream raw materials:

2-methyl-4-pyrrolidinobenzophenone

1-(2-methyl-4-pyrrolidinophenyl)-1-phenylprop-2-yn-1-ol

2-bromo-5-chlorobenzyl bromide

(2-bromo-5-chlorophenyl)methanediyl diacetate

Refernces

• 1、 Tarkhanova, Irina G.,Gantman, Michail G.,Sigeev, Alexander S.,Maslakov, Konstantin I.,Zelikman, Vladimir M.,Beletskaya, Irina P.. "Highly efficient Sandmeyer reaction on immobilized CuI/CuII-based catalysts". . p. 261 - 263. Retrieved 2018/06/01.