4-Bromo-1-chloro-2-fluorobenzene

Base Information

• Chemical Name: 4-Bromo-1-chloro-2-fluorobenzene
• CAS No.: 60811-18-9
• Molecular Formula: C6H3BrClF
• Molecular Weight: 209.445
• Hs Code.: 29039990
• DSSTox Substance ID: DTXSID60369206
• Nikkaji Number: J962.140G
• Wikidata: Q72452618
• Mol file: 60811-18-9.mol

Synonyms:4-Bromo-1-chloro-2-fluorobenzene;60811-18-9;1-Bromo-4-chloro-3-fluorobenzene;3-Fluoro-4-chlorobromobenzene;Benzene, 4-bromo-1-chloro-2-fluoro-;MFCD00042519;2-fluoro-4-bromochlorobenzene;2-CHLORO-5-BROMOFLUOROBENZENE;4-bromo-1-chloro-2-fluoro-benzene;SCHEMBL266852;3-fluoro-4-chloro-bromobenzene;AGYWDGVTLKNTBS-UHFFFAOYSA-;DTXSID60369206;AGYWDGVTLKNTBS-UHFFFAOYSA-N;1-Chloro-2-fluoro-4-bromobenzene;BCP21673;AKOS005255860;AC-8202;AM61585;CS-W015148;AS-15023;SY020715;4-bromanyl-1-chloranyl-2-fluoranyl-benzene;A8464;B1861;FT-0620081;1-bromo-4-chloro-3-fluorobenzene, AldrichCPR;A20452;EN300-117716;A832895;J-514538;Z1269224922;InChI=1/C6H3BrClF/c7-4-1-2-5(8)6(9)3-4/h1-3H

Chemical Property of 4-Bromo-1-chloro-2-fluorobenzene

Chemical Property:

• Appearance/Colour: colorless to yellowish liquid
• Vapor Pressure: 0.597mmHg at 25°C
• Refractive Index: 1.5544-1.5564
• Boiling Point: 195.1 °C at 760 mmHg
• Flash Point: 71.8 °C
• PSA: 0.00000
• Density: 1.719 g/cm₃
• LogP: 3.24160
• Storage Temp.: Room temperature.
• Water Solubility.: INSOLUBLE
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 207.90907
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-36-22
• Safety Statements: 37/39-26-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)F)Cl

Technology Process of 4-Bromo-1-chloro-2-fluorobenzene

There total 2 articles about 4-Bromo-1-chloro-2-fluorobenzene 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:

1-methyl-piperazine (109-01-3) + tetrafluoroboric acid + 7-fluoro-8,10-dichloro-10,11-dihydrodibenzo(b,f)thiepine (60810-77-7) + 3 N-HCl + 5-bromo-2-chloroaniline (60811-17-8) + maleic acid (110-16-7,26099-09-2) → 2-chloro-5-bromofluorobenzene (60811-18-9)

Guidance literature:

With hydrogenchloride; boric acid; sodium nitrite; In ethanol; chloroform; hydrogen fluoride; water; benzene;

Reference yield:

→ 2-chloro-5-bromofluorobenzene (60811-18-9)

Guidance literature:

Reference yield: 94.0%

2-chloro-5-bromofluorobenzene (60811-18-9) + methyl iodide (74-88-4) → 1-bromo-4-chloro-3-fluoro-2-methylbenzene

Guidance literature:

2-chloro-5-bromofluorobenzene; With n-butyllithium; diisopropylamine; In tetrahydrofuran; at -78 ℃; for 0.666667h;

methyl iodide; In tetrahydrofuran; at -78 - 20 ℃;

upstream raw materials:

1-methyl-piperazine

7-fluoro-8,10-dichloro-10,11-dihydrodibenzo(b,f)thiepine

5-bromo-2-chloroaniline

maleic acid

Downstream raw materials:

tert-butyl 4-(4-chloro-3-fluorobenzyl)piperidine-1-carboxylate

1-bromo-4-chloro-5-fluoro-2-nitrobenzene

4-(4-chloro-3-fluorobenzyl)piperidine

4-bromo-1-chloro-2-propoxybenzene

Refernces