1-Bromo-2-chloro-3-methylbenzene

Base Information

• Chemical Name: 1-Bromo-2-chloro-3-methylbenzene
• CAS No.: 97329-43-6
• Molecular Formula: C7H6BrCl
• Molecular Weight: 205.482
• Hs Code.: 2903998090
• European Community (EC) Number: 619-267-5,689-083-8
• DSSTox Substance ID: DTXSID80537783
• Wikidata: Q82412889
• Mol file: 97329-43-6.mol

Synonyms:3-Bromo-2-chlorotoluene;1-Bromo-2-chloro-3-methylbenzene;97329-43-6;Benzene, 1-bromo-2-chloro-3-methyl-;MFCD07782165;2-Chloro-3-bromotoluene;SCHEMBL1699675;DTXSID80537783;ZAUOWBCSUDVVQT-UHFFFAOYSA-N;1-Bromo-2-chloro-3-methyl-benzene;3-bromo-2-chlorotoluene, AldrichCPR;AKOS015834093;AM62223;BP-11119;DS-14284;SY025545;CS-0134478;EN300-176640;A858639

Chemical Property of 1-Bromo-2-chloro-3-methylbenzene

Chemical Property:

• Vapor Pressure: 0.12mmHg at 25°C
• Boiling Point: 226.8°C at 760 mmHg
• Flash Point: 103.5°C
• PSA: 0.00000
• Density: 1.535g/cm³
• LogP: 3.41090
• Storage Temp.: Sealed in dry,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:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Bromo-2-chloro-3-methylbenzene

There total 11 articles about 1-Bromo-2-chloro-3-methylbenzene 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:

4-amino-2-chloro-3-methylbromobenzene (627531-47-9) → 1-bromo-2-chloro-3-methyl-benzene (97329-43-6)

Guidance literature:

With sulfuric acid; sodium nitrite; In ethanol; at 90 ℃; Inert atmosphere;

DOI:10.1002/anie.201103224

Reference yield:

N-(3-chloro-2-methylphenyl)acetamide (7463-35-6) → 1-bromo-2-chloro-3-methyl-benzene (97329-43-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: bromine; acetic acid / 14 h

2.1: sulfuric acid; water / 3 h / Heating / reflux

2.2: 20 °C

3.1: hydrogenchloride; sodium nitrite / ethanol; water / 2 h / 70 °C

With hydrogenchloride; sulfuric acid; water; bromine; acetic acid; sodium nitrite; In ethanol; water;

Reference yield:

N-(4-bromo-3-chloro-2-methylphenyl)acetamide (125328-80-5) → 1-bromo-2-chloro-3-methyl-benzene (97329-43-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sulfuric acid; water / 3 h / Heating / reflux

1.2: 20 °C

2.1: hydrogenchloride; sodium nitrite / ethanol; water / 2 h / 70 °C

With hydrogenchloride; sulfuric acid; water; sodium nitrite; In ethanol; water;

upstream raw materials:

2-Methyl-6-nitroaniline

meta-bromotoluene

2-methylphenyl bromide

6-amino-5-bromo-toluene-3-sulfonic acid

Downstream raw materials:

3-bromo-2-chloro-benzoic acid

1-bromo-3-(bromomethyl)-2-chlorobenzene

2-chloro-N-(2,6-diisopropylphenyl)-5-methylaniline

1-(2-(2-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)phenoxy)ethyl)-4-methylpiperazine