2,6-Dibromo-4-chloroaniline

Base Information

• Chemical Name: 2,6-Dibromo-4-chloroaniline
• CAS No.: 874-17-9
• Molecular Formula: C6H4Br2ClN
• Molecular Weight: 285.365
• Hs Code.: 2921420090
• European Community (EC) Number: 618-012-5
• DSSTox Substance ID: DTXSID50347735
• Nikkaji Number: J257.646E
• Wikidata: Q72464032
• Mol file: 874-17-9.mol

Synonyms:2,6-Dibromo-4-chloroaniline;874-17-9;4-Chloro-2,6-dibromoaniline;MFCD00051750;4-Chloro-4,6-Dibromoaniline;2,6-Dibromo-4-chloro-phenylamine;Benzenamine, 2,6-dibromo-4-chloro-;SCHEMBL1639812;DTXSID50347735;BBL000062;STK507087;4-Chloro-2,6-dibromoaniline, 98%;AKOS000108235;s10868;AS-59031;SY048887;B1516;BB 0243577;CS-0136276;FT-0618003;EN300-191968;A842133;2,6-dibromo-4-chloro-aniline

Chemical Property of 2,6-Dibromo-4-chloroaniline

Chemical Property:

• Vapor Pressure: 0.00135mmHg at 25°C
• Melting Point: 94-96 °C(lit.)
• Refractive Index: 1.669
• Boiling Point: 297.4 °C at 760 mmHg
• PKA: -0.16±0.10(Predicted)
• Flash Point: 133.7 °C
• PSA: 26.02000
• Density: 2.097 g/cm³
• LogP: 4.02840
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 284.83785
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

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

2,6-Dibromo-4-chloroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36/37/39-24/25-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Br)N)Br)Cl

Technology Process of 2,6-Dibromo-4-chloroaniline

There total 24 articles about 2,6-Dibromo-4-chloroaniline 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: 100.0%

4-chloro-aniline (106-47-8) → 4-chloro-2,6-dibromoaniline (874-17-9)

Guidance literature:

With bromine; sodium bromide; In water; at 25 ℃; for 1h;

Reference yield: 98.0%

4-chloro-2-bromoaniline (873-38-1) → 4-chloro-2,6-dibromoaniline (874-17-9)

Guidance literature:

With 1-butyl-3-methylpyridinium tribromide; at 20 ℃; for 0.0333333h;

DOI:10.1016/j.tetlet.2008.12.053

Reference yield: 85.0%

1-allyl-3-parachlorophenyl-thiourea (14255-79-9) → N-(2,3-dibromopropyl)isothiocyanate (51784-10-2) + 4-chloro-2,6-dibromoaniline (874-17-9)

Guidance literature:

With bromine; In chloroform;

DOI:10.1134/S1070363216030312

upstream raw materials:

chloroform

2,6-dibromoaniline

acetic acid-(2,4,N-trichloro-anilide)

2,4,6-tribromoaniline

Downstream raw materials:

2,6-dibromo-4-chloro-N-nitro-aniline

C₁₄H₁₁Br₂ClN₂

bis[N,N'-(4-chloro-2,6-diphenylphenyl)imino]acenaphthene

{bis[N,N'-(4-chloro-2,6-diphenylphenyl)imino]acenaphthene}dibromonickel

Refernces

• 1、 -. "A PROCESS FOR THE SYNTHESIS ANTHRANILIC DIAMIDE COMPOUNDS AND INTERMEDIATES THEREOF". Page/Page column 21. . Retrieved 2020/09/08.
• 2、 Ageshina, Alexandra A.,Chesnokov, Gleb A.,Topchiy, Maxim A.,Alabugin, Igor V.,Nechaev, Mikhail S.,Asachenko, Andrey F.. "Making endo-cyclizations favorable again: A conceptually new synthetic approach to benzotriazoles via azide group directed lithiation/cyclization of 2-azidoaryl bromides". supporting information. p. 4523 - 4534. Retrieved 2019/05/17.