3-Bromo-4-chlorotoluene

Base Information

• Chemical Name: 3-Bromo-4-chlorotoluene
• CAS No.: 57310-39-1
• Molecular Formula: C7H6BrCl
• Molecular Weight: 205.482
• Hs Code.: 2903999090
• NSC Number: 139876
• DSSTox Substance ID: DTXSID40300899
• Nikkaji Number: J2.388.764I
• Wikidata: Q72453701
• Mol file: 57310-39-1.mol

Synonyms:3-Bromo-4-chlorotoluene;57310-39-1;2-bromo-1-chloro-4-methylbenzene;2-Bromo-1-Chloro-4-Methyl-Benzene;Benzene, 2-bromo-1-chloro-4-methyl-;MFCD00079710;NSC 139876;Brc1cc(C)ccc1Cl;NSC139876;3-Bromo-4-Chloro Toluene;SCHEMBL507011;DTXSID40300899;1-Chloro-2-bromo-4-methylbenzene;3-bromo-4-chlorotoluene, AldrichCPR;AKOS005145628;CS-W002337;GS-3481;NSC-139876;2-bromanyl-1-chloranyl-4-methyl-benzene;SY017112;AM20060126;FT-0615150;EN300-247803;A831387;A831588

Chemical Property of 3-Bromo-4-chlorotoluene

Chemical Property:

• Vapor Pressure: 0.107mmHg at 25°C
• Refractive Index: 1.566
• Boiling Point: 229.134 °C at 760 mmHg
• Flash Point: 104.51 °C
• PSA: 0.00000
• Density: 1.535 g/cm³
• LogP: 3.41090
• Storage Temp.: Room temperature.
• XLogP3: 3.6
• 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:

98% ^*data from raw suppliers

2-Bromo-1-chloro-4-methyl-benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,N,Xn
• Statements: 22-51/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)Cl)Br

Technology Process of 3-Bromo-4-chlorotoluene

There total 10 articles about 3-Bromo-4-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: 79.0%

2-bromo-p-toluidine (583-68-6) → 2-bromo-1-chloro-4-methylbenzene (57310-39-1)

Guidance literature:

With tert.-butylnitrite; copper dichloride; In acetonitrile; at 65 ℃; for 2.5h;

DOI:10.1016/j.bmcl.2016.09.075

Reference yield:

para-chlorotoluene (106-43-4) → 2-bromo-1-chloro-4-methylbenzene (57310-39-1) + 4-chlorobenzyl bromide (622-95-7)

Guidance literature:

With N-Bromosuccinimide; In water; at 90 ℃; for 0.666667h; sonication;

DOI:10.1016/j.tetlet.2007.03.023

Reference yield:

→ 2-bromo-1-chloro-4-methylbenzene (57310-39-1)

Guidance literature:

With aluminium amalgam; durch Chlorieren;

upstream raw materials:

para-chlorotoluene

2-bromo-4-methylacetanilide

4-methyl-2-nitroaniline

2-bromo-4-methyl-aniline; hydrochloride

Downstream raw materials:

4-chloro-7-methyl-2,3-dihydro-1H-inden-1-one

Refernces

• 1、 Heropoulos, Georgios A.,Cravotto, Giancarlo,Screttas, Constantinos G.,Steele, Barry R.. "Contrasting chemoselectivities in the ultrasound and microwave assisted bromination reactions of substituted alkylaromatics with N-bromosuccinimide". . p. 3247 - 3250. Retrieved 2008/02/02.