4-Bromo-3-chloroaniline

Base Information

• Chemical Name: 4-Bromo-3-chloroaniline
• CAS No.: 21402-26-6
• Molecular Formula: C6H5BrClN
• Molecular Weight: 206.469
• Hs Code.: 29214200
• European Community (EC) Number: 244-370-3
• UNII: 2GTM4SW4OH
• DSSTox Substance ID: DTXSID30175674
• Nikkaji Number: J226.198G
• Wikidata: Q27254721
• Mol file: 21402-26-6.mol

Synonyms:4-Bromo-3-chloroaniline;21402-26-6;Benzenamine, 4-bromo-3-chloro-;3-CHLORO-4-BROMOANILINE;(4-bromo-3-chlorophenyl)amine;MFCD00041311;2GTM4SW4OH;4-bromo-3-chloro-aniline;UNII-2GTM4SW4OH;4-bromo-3-chloro aniline;4-bromo-3-chloro-phenylamine;SCHEMBL116608;DTXSID30175674;EINECS 244-370-3;ANILINE, 4-BROMO-3-CHLORO-;STL252563;AKOS000279612;AC-3711;CS-W007688;PS-4681;SB77555;AKOS 90302;4-Bromo-3-chloro-phenylamine;AM20030345;B3709;FT-0617811;FT-0617812;A19780;EN300-105785;J-014031;Q27254721;4-Bromo-3-chloroaniline, PESTANAL(R), analytical standard

Chemical Property of 4-Bromo-3-chloroaniline

Chemical Property:

• Appearance/Colour: Off White
• Vapor Pressure: 0.00484mmHg at 25°C
• Melting Point: 74 °C
• Refractive Index: 1.638
• Boiling Point: 276.3 °C at 760 mmHg
• PKA: 2.84±0.10(Predicted)
• Flash Point: 120.9 °C
• PSA: 26.02000
• Density: 1.722 g/cm³
• LogP: 3.26590
• Storage Temp.: Room temperature.
• Solubility.: soluble in Methanol
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 204.92939
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

99.0%Min ^*data from raw suppliers

4-Bromo-3-chloroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, T, Xn
• Hazard Codes: Xi,T,Xn
• Statements: 20/21/22-33-36/37/38-22
• Safety Statements: 28-36/37-36/37/39-26-23

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N)Cl)Br

Technology Process of 4-Bromo-3-chloroaniline

There total 13 articles about 4-Bromo-3-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: 97.0%

tert-butyl (3-chloro-4-bromophenyl)carbamate → 4-bromo-3-chloroaniline (21402-26-6)

Guidance literature:

In 2,2,2-trifluoroethanol; at 150 ℃; for 1h; microwave irradiation;

DOI:10.1080/00397910802238718

Reference yield: 90.0%

3-chloro-aniline (108-42-9) → 4-bromo-3-chloroaniline (21402-26-6)

Guidance literature:

With N-Bromosuccinimide; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

DOI:10.1007/s00044-016-1504-3

Reference yield: 77.0%

→ 4-bromo-3-chloroaniline (21402-26-6)

Guidance literature:

With TurboGrignard; In tetrahydrofuran; at -45 ℃; for 2h; Inert atmosphere;

With C₁₀H₁₇NO; In tetrahydrofuran; toluene; at -45 ℃; for 2h; Inert atmosphere;

upstream raw materials:

1-bromo-2-chloro-4-nitrobenzene

N-(4-bromo-3-chlorophenyl)acetamide

chloroform

3-chloro-aniline

Downstream raw materials:

N-(4-bromo-3-chloro-phenyl)-N'-(4-fluoro-phenyl)-thiourea

1-(4-Bromo-3-chloro-phenyl)-3-(2,3-dichloro-propionyl)-urea

1-(4-Bromo-3-chloro-phenyl)-3-(2,3-dibromo-propionyl)-urea

1-(4-Bromo-3-chloro-phenyl)-3-(4-trifluoromethyl-phenyl)-urea

Refernces

• 1、 Li, Ming-Fang,Wang, Jian,Ke, Yong-Xin,Pan, Song-Cheng,Yin, Hong,Du, Wenting,Li, Jing-Hua. "A metal-free aerobic oxidative bromination of anilines and aryl ketones with 2-methylpyridinium nitrate as a reusable ionic liquid". . p. 267 - 270. Retrieved 2020/01/08.
• 2、 -. "Method for synthesizing monobrominated aniline compound". Paragraph 0044; 0045; 0046; 0047. . Retrieved 2017/09/26.