3-Bromo-2-chloro-6-fluorotoluene

Base Information

• Chemical Name: 3-Bromo-2-chloro-6-fluorotoluene
• CAS No.: 203302-92-5
• Molecular Formula: C7H5BrClF
• Molecular Weight: 223.472
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID50371217
• Wikidata: Q72517562
• Mol file: 203302-92-5.mol

Synonyms:3-Bromo-2-chloro-6-fluorotoluene;203302-92-5;1-bromo-2-chloro-4-fluoro-3-methylbenzene;2-Chloro-3-bromo-6-fluorotoluene;Benzene, 1-bromo-2-chloro-4-fluoro-3-methyl-;MFCD00236591;castest;ARACHIDICACIDMETHYLESTER;SCHEMBL221046;DTXSID50371217;VHQALVHKNXDJRY-UHFFFAOYSA-N;3-Bromo-2-chloro-6-fiuorotoluene;3-Bromo-2-chloro-6-fluoro-toluene;AKOS005063616;AC-2352;AM61833;PS-10224;SY035516;CS-0153674;FT-0659615;A19557;EN300-6762610

Chemical Property of 3-Bromo-2-chloro-6-fluorotoluene

Chemical Property:

• Vapor Pressure: 0.176mmHg at 25°C
• Refractive Index: 1.545
• Boiling Point: 219.5 °C at 760 mmHg
• Flash Point: 86.6 °C
• PSA: 0.00000
• Density: 1.618 g/cm³
• LogP: 3.55000
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 221.92472
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

98%min ^*data from raw suppliers

3-Bromo-2-chloro-6-fluorotoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1Cl)Br)F

Technology Process of 3-Bromo-2-chloro-6-fluorotoluene

There total 2 articles about 3-Bromo-2-chloro-6-fluorotoluene 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: 98.0%

2-chloro-6-fluorotoluene (443-83-4) → 3-bromo-2-chloro-6-fluorotoluene (203302-92-5)

Guidance literature:

With bromine; iron; for 0.25h;

Reference yield:

2-chloro-6-fluorotoluene (443-83-4) → 3-bromo-2-chloro-6-fluorotoluene (203302-92-5) + 3-bromo-5-chloro-2-fluorotoluene (146948-69-8)

Guidance literature:

With bromine; iron; at 20 ℃;

DOI:10.1021/jm901149c

Reference yield: 71.0%

3-bromo-2-chloro-6-fluorotoluene (203302-92-5) + dicyanozinc (557-21-1) → 2-chloro-4-fluoro-3-methylbenzonitrile (796600-15-2)

Guidance literature:

tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 120 ℃; for 2h; Product distribution / selectivity;

upstream raw materials:

2-chloro-6-fluorotoluene

Downstream raw materials:

1-bromo-3-bromomethyl-2-chloro-4-fluoro-benzene

2-chloro-4-fluoro-3-methylbenzonitrile

(3-bromo-2-chloro-6-fluoro-phenyl)-acetonitrile

(3-bromo-2-chloro-6-fluoro-phenyl)-acetic acid

Refernces

• 1、 -. "Aminophenyl derivatives as selective androgen receptor modulators". Page/Page column 18. . Retrieved 2008/06/13.