2-Bromo-4-chloro-1-fluorobenzene

Base Information

• Chemical Name: 2-Bromo-4-chloro-1-fluorobenzene
• CAS No.: 1996-30-1
• Molecular Formula: C6H3BrClF
• Molecular Weight: 209.445
• Hs Code.: 29039990
• European Community (EC) Number: 672-502-3
• DSSTox Substance ID: DTXSID20378319
• Nikkaji Number: J3.540.826F
• Wikidata: Q72452623
• ChEMBL ID: CHEMBL2263224
• Mol file: 1996-30-1.mol

Synonyms:2-Bromo-4-chloro-1-fluorobenzene;1996-30-1;3-bromo-4-fluorochlorobenzene;1-bromo-5-chloro-2-fluorobenzene;3-Bromo-1-chloro-4-fluorobenzene;2-Fluoro-5-chlorobromobenzene;1-bromo-3-chloro-6-fluorobenzene;2-bromo-4-chloro-1-fluoro-benzene;2-BROMO-4-CHLOROFLUOROBENZENE;Benzene, 2-bromo-4-chloro-1-fluoro-;MFCD00672934;5-chloro-2-fluorobromobenzene;SCHEMBL692283;2-Bromo-3'-acetoxyacetophenone;3-Bromo-4-Fluoro Chlorobenzene;CHEMBL2263224;DTXSID20378319;YFFUYGSLQXVHMB-UHFFFAOYSA-N;1-Fluoro-2-bromo-4-chlorobenzene;4-chloro-2-bromo-1-fluoro-benzene;AKOS015853471;CS-W015146;2-Bromo-4-chloro-1-fluorobenzene, 96%;AC-23665;AS-17842;SY014711;A4371;AM20060143;B2956;FT-0633960;J3.540.826F;EN300-109515;J-508266

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

Chemical Property:

• Vapor Pressure: 0.622mmHg at 25°C
• Refractive Index: 1.554
• Boiling Point: 194.3 °C at 760 mmHg
• Flash Point: 71.3 °C
• PSA: 0.00000
• Density: 1.719 g/cm³
• LogP: 3.24160
• Storage Temp.: Sealed in dry,Room Temperature
• 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:

99.9% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-24/25

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Br)F

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

There total 4 articles about 2-Bromo-4-chloro-1-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: 96.0%

1-bromo-5-chloro-2-fluoro-4-iodo-benzene (1000572-73-5) → 2-bromo-4-chloro-1-fluorobenzene (1996-30-1)

Guidance literature:

With formic acid; tributyl-amine; 1,1′-(10-(4-acetylphenyl)-10H-phenothiazine-3,7-diyl)bis(ethan-1-one); In acetonitrile; at 23 ℃; for 5h; chemoselective reaction; UV-irradiation;

DOI:10.1021/acs.joc.6b01034

Reference yield: 90.0%

1-bromo-5-chloro-2-fluoro-4-iodo-benzene (1000572-73-5) → 2-bromo-4-chloro-1-fluorobenzene (1996-30-1) + 1-Chloro-4-fluorobenzene (352-33-0)

Guidance literature:

With formic acid; tributyl-amine; 10-phenyl-10H-phenothiazine; In acetonitrile; at 23 ℃; for 48h; chemoselective reaction; UV-irradiation;

DOI:10.1021/acs.joc.6b01034

Reference yield:

4-chloro-2-bromoaniline (873-38-1) → 2-bromo-4-chloro-1-fluorobenzene (1996-30-1)

Guidance literature:

4-chloro-2-bromoaniline; With sodium tetrafluoroborate; sodium nitrite; acidic conditions;

at 150 - 170 ℃; Further stages.;

DOI:10.1007/s00044-007-9024-9

upstream raw materials:

4-chloro-2-bromoaniline

1-bromo-5-chloro-2-fluoro-4-iodo-benzene

Downstream raw materials:

((2-fluoro-5-chlorophenyl)ethynyl)trimethylsilane

[(2-bromo-4-chlorophenyl)thio]acetic acid

Refernces

• 1、 Katircioglu, Hikmet,Logoglu, Elif,Tilki, Tahir,Oektemer, Atilla. "Synthesis of 2,4-dihalogenofluorobenzenes and their antimicrobial and antifungal activity studies". . p. 205 - 212. Retrieved 2008/12/21.