4-Chloro-3-fluorobenzyl bromide

Base Information

• Chemical Name: 4-Chloro-3-fluorobenzyl bromide
• CAS No.: 206362-80-3
• Molecular Formula: C7H5BrClF
• Molecular Weight: 223.472
• Hs Code.: 29039990
• European Community (EC) Number: 675-117-9
• DSSTox Substance ID: DTXSID80382452
• Wikidata: Q72479489
• Mol file: 206362-80-3.mol

Synonyms:206362-80-3;4-Chloro-3-fluorobenzyl bromide;4-(bromomethyl)-1-chloro-2-fluorobenzene;3-Fluoro-4-chlorobenzyl bromide;4-chloro-3-fluorobenzylbromide;alpha-Bromo-4-chloro-3-fluorotoluene;4-Chloro-3 Fluoro benzyl bromide;Benzene, 4-(bromomethyl)-1-chloro-2-fluoro-;3-fluoro-4-chlorobenzylbromide;SCHEMBL119714;DTXSID80382452;CNUYBEIHDWMLSD-UHFFFAOYSA-N;BBL100683;MFCD04115859;STL554477;AKOS005063876;AC-7448;CS-W007540;PS-10022;1-(Bromomethyl)-4-chloro-3-fluorobenzene;4-Chloro-3-fluorobenzyl bromide, AldrichCPR;A4483;AM20060011;C2484;FT-0645991;EN300-170032;J-013484

Chemical Property of 4-Chloro-3-fluorobenzyl bromide

Chemical Property:

• Vapor Pressure: 0.119mmHg at 25°C
• Melting Point: 30-33℃
• Refractive Index: 1.561
• Boiling Point: 227.1 °C at 760 mmHg
• Flash Point: 91.1 °C
• PSA: 0.00000
• Density: 1.654 g/cm³
• LogP: 3.37400
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Lachrymatory
• Solubility.: soluble in Methanol
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 221.92472
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

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

4-Chloro-3-fluorobenzyl Bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CBr)F)Cl

Technology Process of 4-Chloro-3-fluorobenzyl bromide

There total 4 articles about 4-Chloro-3-fluorobenzyl bromide 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: 85.0%

(4-chloro-3-fluorophenyl)methanol (202925-10-8) → 4-(bromomethyl)-1-chloro-2-fluorobenzene (206362-80-3)

Guidance literature:

With bromine; triphenylphosphine; In ethanol; dichloromethane; at 0 ℃; for 0.5h;

Reference yield: 74.0%

→ 4-(bromomethyl)-1-chloro-2-fluorobenzene (206362-80-3)

Guidance literature:

Reference yield: 38.0%

propargyl bromide (106-96-7) + 3-Chloro-4-fluorothiophene-1,1-dioxide (206362-77-8) → 4-(bromomethyl)-1-chloro-2-fluorobenzene (206362-80-3)

Guidance literature:

at 100 - 110 ℃; for 20h;

DOI:10.1016/S0022-1139(98)00109-2

upstream raw materials:

allyl bromide

3-Chloro-4-fluorothiophene-1,1-dioxide

propargyl bromide

(4-chloro-3-fluorophenyl)methanol

Downstream raw materials:

3-acetyl-1-(4-chloro-3-fluorobenzyl)-4-methoxy-1H-indole

Refernces

• 1、 -. "Indole derivatives and their use as MCP-1 antagonist". Page/Page column 18. . Retrieved 2010/02/06.