1-Bromo-4-chlorobenzene

Base Information

• Chemical Name: 1-Bromo-4-chlorobenzene
• CAS No.: 106-39-8
• Molecular Formula: C6H4BrCl
• Molecular Weight: 191.455
• Hs Code.: 29036990
• European Community (EC) Number: 203-392-3
• NSC Number: 17587
• UNII: LXY3B1SO4F
• DSSTox Substance ID: DTXSID4059338
• Nikkaji Number: J46.977G
• Wikidata: Q27283247
• Mol file: 106-39-8.mol

Synonyms:1-Bromo-4-chlorobenzene;4-BROMOCHLOROBENZENE;106-39-8;p-Bromochlorobenzene;4-Chlorobromobenzene;p-Chlorobromobenzene;p-Chlorophenyl bromide;Benzene, 1-bromo-4-chloro-;4-Chlorophenyl bromide;1-Chloro-4-bromobenzene;4-Chloro-1-bromobenzene;4-bromo-1-chlorobenzene;p-Bromophenyl chloride;p-Bromoclorobenzene;1-bromo-4-chloro-benzene;NSC 17587;Bromochlorobenzene, p-;EINECS 203-392-3;UNII-LXY3B1SO4F;LXY3B1SO4F;AI3-15313;NSC-17587;1,4-bromochlorobenzene;4-bromchlorobenzene;p-chlorophenylbromide;MFCD00000600;4-bromo chlorobenzene;4-bromo-chlorobenzene;4-chloro-bromobenzene;para-bromochlorobenzene;1-brom-4-chlorbenzen;1-bromo4-chlorobenzene;4-BROMOPHENYL CHLORIDE;SCHEMBL197605;DTXSID4059338;1-Bromo-4-chlorobenzene, 99%;NSC17587;STR00662;AKOS000202636;AM807352;LS-29193;1-Bromo-4-chlorobenzene, analytical standard;B0571;CS-0015927;FT-0607498;EN300-19639;D86052;A852294;J-514814;Q27283247;F0001-0118

Chemical Property of 1-Bromo-4-chlorobenzene

Chemical Property:

• Appearance/Colour: white to almost white crystalline powder
• Vapor Pressure: 0.674mmHg at 25°C
• Melting Point: 64-67 °C(lit.)
• Refractive Index: 1,496-1,498
• Boiling Point: 192.651 °C at 760 mmHg
• Flash Point: 78.434 °C
• PSA: 0.00000
• Density: 1.628 g/cm³
• LogP: 3.10250
• Storage Temp.: 2-8°C
• Solubility.: 0.045g/l
• Water Solubility.: insoluble
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 189.91849
• Heavy Atom Count: 8
• Complexity: 66.9

Purity/Quality:

98% ^*data from raw suppliers

4-Chlorobromobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn,T
• Hazard Codes: Xn:Harmful
• Statements: R20/22:; R36/37/38:
• Safety Statements: S26:; S37/39:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: C1=CC(=CC=C1Cl)Br
• Uses: 1-Bromo-4-chlorobenzene is used as a pharmaceutical intermediate.

Technology Process of 1-Bromo-4-chlorobenzene

There total 113 articles about 1-Bromo-4-chlorobenzene 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: 99.0%

p-chlorobenzenediazonium tetrafluoroborate (673-41-6) → bromochlorobenzene (106-39-8)

Guidance literature:

With dibenzo-18-crown-6; potassium bromide; copper(ll) bromide; 1,10-Phenanthroline; copper(I) bromide; In acetonitrile; at 20 ℃; for 0.333333h;

DOI:10.1055/s-2007-983784

Reference yield: 98.0%

chlorobenzene (108-90-7) → bromochlorobenzene (106-39-8)

Guidance literature:

With sulfuric acid; tetramethylammonium bromide; at 120 ℃; for 3h; Further Variations:; Reagents; Product distribution;

Reference yield: 89.0%

4-bromo-2,4,6-trimethyldiphenyliodonium trifluoromethanesulfonate (1203709-75-4) → bromochlorobenzene (106-39-8)

Guidance literature:

With copper(l) chloride; In acetonitrile; at 80 ℃; for 2h;

DOI:10.2174/15701786113109990011

upstream raw materials:

bromobenzene

ethanol

4-chlorophenyldiazonium salt

4-bromo-benzenediazonium ion

Downstream raw materials:

para-chlorobenzoic acid

4-chlorodiphenyl ether

1,4-diphenoxybenzene

para-dichlorobenzene

Refernces

• 1、 Muathen, Hussni A.. "Mild chlorination of aromatic compounds with tin(IV) chloride and lead tetraacetate". . p. 8863 - 8866. Retrieved 1996.
• 2、 Rozen, Shlomo,Lerman, Ori. "Bromination of Deactivated Aromatics Using BrF3 without a Catalyst". . p. 239 - 240. Retrieved 1993.
• 3、 Kovacic,Sparks. "-". . p. 5740. Retrieved 1960.
• 4、 Kovacic,Wu. "". . p. 214. Retrieved 1961.
• 5、 Alavinia, Sedigheh,Ghorbani-Vaghei, Ramin. "Poly-N-bromosulfonamide-melamine as a novel brominating reagent for regioselective ipso-bromination of arylboronic acids". . p. 1269 - 1276. Retrieved 2021/08/27.
• 6、 Deckers, Kristina,Fricke, Christoph,Schoenebeck, Franziska. "Orthogonal Stability and Reactivity of Aryl Germanes Enables Rapid and Selective (Multi)Halogenations". supporting information. p. 18717 - 18722. Retrieved 2020/08/25.