3-Chloro-4-fluorobenzyl bromide

Base Information

• Chemical Name: 3-Chloro-4-fluorobenzyl bromide
• CAS No.: 192702-01-5
• Molecular Formula: C7H5BrClF
• Molecular Weight: 223.472
• Hs Code.: 29039990
• European Community (EC) Number: 631-574-6
• DSSTox Substance ID: DTXSID90373937
• Wikidata: Q72450709
• Mol file: 192702-01-5.mol

Synonyms:3-Chloro-4-fluorobenzyl bromide;192702-01-5;4-(bromomethyl)-2-chloro-1-fluorobenzene;Benzene, 4-(bromomethyl)-2-chloro-1-fluoro-;MFCD01631551;alpha-Bromo-3-chloro-4-fluorotoluene;1-(Bromomethyl)-3-chloro-4-fluorobenzene;3-chloro-4-fluoro benzyl bromide;SCHEMBL118390;3-chloro-4-fluoro-benzylbromide;4-fluoro-3-chlorobenzyl bromide;DTXSID90373937;GGTQWWTYUKXFPP-UHFFFAOYSA-N;AKOS005257714;AC-4166;AM84246;CS-W010452;4-bromomethyl-2-chloro-1-fluoro-benzene;PS-10023;C2482;FT-0615391;A22676;EN300-172940;4-(Bromomethyl)-2-chloro-1-fluorobenzene, AldrichCPR;4-CHLORO-2-(TRIFLUOROMETHYL)BENZENESULFONYLCHLORIDE;lpha-Bromo-3-chloro-4-fluorotoluene;a-bromo-3-chloro-4-fluorotoluene

Chemical Property of 3-Chloro-4-fluorobenzyl bromide

Chemical Property:

• Vapor Pressure: 0.0784mmHg at 25°C
• Refractive Index: 1.568
• Boiling Point: 235 °C at 760 mmHg
• Flash Point: 95.9 °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
• 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% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xn
• Statements: 34-36/37/38-22
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Chloro-4-fluorobenzyl bromide

There total 4 articles about 3-Chloro-4-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: 61.9%

3-chloro-4-fluorobenzyl alcohol (161446-90-8) → 3-chloro-4-fluorobenzyl bromide (192702-01-5)

Guidance literature:

With phosphorus tribromide; In dichloromethane; at 0 - 20 ℃; for 1h;

DOI:10.1021/acs.jmedchem.0c00233

Reference yield:

3-Chloro-4-fluorobenzaldehyde (34328-61-5) → 3-chloro-4-fluorobenzyl bromide (192702-01-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium tetrahydroborate / methanol / 2 h / 20 °C

2: phosphorus tribromide / diethyl ether / 0.5 h / 0 °C

With sodium tetrahydroborate; phosphorus tribromide; In methanol; diethyl ether;

DOI:10.1016/j.bmcl.2013.10.010

Reference yield:

2-chloro-1-fluoro-4-methylbenzene (1513-25-3) → 3-chloro-4-fluorobenzyl bromide (192702-01-5)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide;

DOI:10.1021/jm00313a013

upstream raw materials:

2-chloro-1-fluoro-4-methylbenzene

3-amino-4-fluorotoluene

3-chloro-4-fluorobenzyl alcohol

3-Chloro-4-fluorobenzaldehyde

Downstream raw materials:

α-(3-Chlor-4-fluor-benzyl)-α-acetamino-malonsaeure-diethylester

3-(3-chloro-4-fluorobenzyl)pentane-2,4-dione

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

1-(3-chloro-4-fluorobenzyl)piperidin-2-one

Refernces

• 1、 Hussaini, Syed Mohammed Ali,Yedla, Poornachandra,Babu, Korrapati Suresh,Shaik, Thokhir B.,Chityal, Ganesh Kumar,Kamal, Ahmed. "Synthesis and Biological Evaluation of 1,2,3-triazole tethered Pyrazoline and Chalcone Derivatives". . p. 97 - 109. Retrieved 2016/07/09.
• 2、 Kamal, Ahmed,Hussaini, Syed Mohammed Ali,Faazil, Shaikh,Poornachandra,Narender Reddy,Kumar, C. Ganesh,Rajput, Vikrant Singh,Rani, Chitra,Sharma, Rashmi,Khan, Inshad Ali,Jagadeesh Babu. "Anti-tubercular agents. Part 8: Synthesis, antibacterial and antitubercular activity of 5-nitrofuran based 1,2,3-triazoles". . p. 6842 - 6846. Retrieved 2014/01/06.