1-Bromo-3,5-difluorobenzene

Base Information

• Chemical Name: 1-Bromo-3,5-difluorobenzene
• CAS No.: 461-96-1
• Molecular Formula: C6H3BrF2
• Molecular Weight: 192.991
• Hs Code.: 29039990
• European Community (EC) Number: 416-710-2,610-286-4
• DSSTox Substance ID: DTXSID90196724
• Nikkaji Number: J766.767A
• Wikidata: Q72454310
• Mol file: 461-96-1.mol

Synonyms:1-Bromo-3,5-difluorobenzene;461-96-1;3,5-difluorobromobenzene;1-bromo-3,5-difluoro-benzene;Benzene, 1-bromo-3,5-difluoro-;461-91-6;1-Bromo-3,5-difluoro benzene;3,5-difluoro-bromobenzene;EC 416-710-2;1219798-73-8;3,5-difluoro bromobenzene;MFCD00010305;bromo-3,5-difluorobenzene;3,5-difluorophenyl bromide;1-bromo3,5-difluorobenzene;1-bromo-3,5-diflorobenzene;1-bromo-3,5-difluorobenzen;1-bromo-3,5-diflurobenzene;3,5-difluoro-1-bromobenzene;1-Bromo 3,5-difluorobenzene;SCHEMBL504770;1-Bromo -3,5-difluorobenzene;DTXSID90196724;BCP25851;1-Bromo-3,5-difluorobenzene, 98%;1-Bromo-3 pound not5-difluorobenzene;AKOS000121085;AC-9666;AM62005;CS-W001124;AC-13836;AS-11628;B1764;FT-0607475;EN300-23994;A20456;J-504413;1-Brom-3,5-difluorbenzol

Chemical Property of 1-Bromo-3,5-difluorobenzene

Chemical Property:

• Appearance/Colour: Clear colourless to light yellow liquid
• Vapor Pressure: 7.81mmHg at 25°C
• Melting Point: -27 °C
• Refractive Index: n20/D 1.499(lit.)
• Boiling Point: 140 °C at 760 mmHg
• Flash Point: 44.4 °C
• PSA: 0.00000
• Density: 1.692 g/cm³
• LogP: 2.72730
• Storage Temp.: Flammables area
• Solubility.: 0.238g/l
• Water Solubility.: 0.238 g/L (20 ºC)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 191.93862
• Heavy Atom Count: 9
• Complexity: 87.1

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-3,5-difluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, F, Xi, N
• Hazard Codes: Xn,N,F,Xi
• Statements: 10-22-38-43-48/22-50/53-36/37/38
• Safety Statements: 24-36/37-60-61-36-26-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: C1=C(C=C(C=C1F)Br)F
• Uses: Intermediates of Liquid Crystals 1-Bromo-3,5-difluorobenzene was used in the synthesis of 4-bromo-2,6-difluorobenzoic acid.

Technology Process of 1-Bromo-3,5-difluorobenzene

There total 16 articles about 1-Bromo-3,5-difluorobenzene 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: 93.0%

(4-bromo-2,6-difluorophenyl)triethylsilane (184910-37-0) → 3,5-difluorobromobenzene (461-96-1)

Guidance literature:

With potassium fluoride; In tetrahydrofuran; water; for 2h; Heating;

DOI:10.1002/ejoc.200300354

Reference yield: 75.0%

hypophosphorous acid (6303-21-5) + 2-bromo-4,6-difluoroaniline hydrobromide (101471-20-9) → 3,5-difluorobromobenzene (461-96-1)

Guidance literature:

With sodium nitrite; In hydrogenchloride;

Reference yield: 66.0%

1,3-dibromo-5-fluorobenzene (1435-51-4) → 3,5-difluorobromobenzene (461-96-1)

Guidance literature:

1,3-dibromo-5-fluorobenzene; With TurboGrignard; In tetrahydrofuran; 1,4-dioxane; at 0 - 25 ℃; Inert atmosphere;

With N-fluorobis(benzenesulfon)imide; In dichloromethane; octadecafluorodecahydronaphthalene (cis+trans); at -78 - 20 ℃; Inert atmosphere;

DOI:10.1055/s-0029-1218816

upstream raw materials:

1,3-Difluorobenzene

2-bromo-4,6-difluoroaniline hydrobromide

3,5-difluoroaniline

(4-bromo-2,6-difluorophenyl)triethylsilane

Downstream raw materials:

3,5-difluoro-1-(diethoxymethylsilyl)benzene

(4-bromo-2,6-difluoro-phenyl)-trimethyl-silane

2-(3',5'-difluorophenyl)-3-(4'-methylthiophenyl)cyclopent-2-en-1-one

3,5-difluorobenzoic acid

Refernces

• 1、 Yamada, Shigeyuki,Knochel, Paul. "Large-scale preparation of aromatic fluorides via electrophilic fluorination with functionalized aryl- or heteroarylmagnesium reagents". experimental part. p. 2490 - 2494. Retrieved 2010/09/04.
• 2、 -. "Method for producing tetrakis ( fluoroaryl) borate-magnesium compound". . . Retrieved 2008/06/13.