5-Bromo-2-chloroaniline

Base Information

• Chemical Name: 5-Bromo-2-chloroaniline
• CAS No.: 60811-17-8
• Molecular Formula: C6H5BrClN
• Molecular Weight: 206.469
• Hs Code.: 29214990
• European Community (EC) Number: 640-719-2
• DSSTox Substance ID: DTXSID60397029
• Wikidata: Q72452312
• Mol file: 60811-17-8.mol

Synonyms:5-bromo-2-chloroaniline;60811-17-8;2-chloro-5-bromoaniline;3-Bromo-6-chloroaniline;Benzenamine, 5-bromo-2-chloro-;5-bromo-2-chloro-aniline;MFCD06796283;5-BROMO-2-CHLORO ANILINE;5-bromo-2-chlorophenylamine;5-Bromo-2-chloro-phenylamine;5-bromo-2-chlorobenzenamine;SCHEMBL459950;DTXSID60397029;UGOLEPGQWYPIBR-UHFFFAOYSA-N;AKOS009157492;AC-3646;AM62043;CS-W004749;PS-3221;SB77797;SY021840;A8463;FT-0612079;EN300-66252;AN-584/42710811;J-508812

Chemical Property of 5-Bromo-2-chloroaniline

Chemical Property:

• Vapor Pressure: 0.016mmHg at 25°C
• Melting Point: 48 °C
• Refractive Index: 1.638
• Boiling Point: 255.8 °C at 760 mmHg
• PKA: 1.58±0.10(Predicted)
• Flash Point: 108.5 °C
• PSA: 26.02000
• Density: 1.722 g/cm³
• LogP: 3.26590
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 3
• 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:

97% ^*data from raw suppliers

5-Bromo-2-chloroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)N)Cl
• Uses: 5-Bromo-2-chloroaniline is employed as a important raw material and intermediate used in organic synthesis agrochemical, pharmaceutical and dyestuff field.

Technology Process of 5-Bromo-2-chloroaniline

There total 8 articles about 5-Bromo-2-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: 30.0%

m-Bromoaniline (591-19-5) → 5-bromo-2-chloroaniline (60811-17-8) + 3-bromo-4-chloroaniline (823-54-1)

Guidance literature:

With N-chloro-succinimide; 1-(3,5-bis(trifluoromethyl)phenyl)-3-((1S,2S)-2-(mesitylselanyl)-2,3-dihydro-1H-inden-1-yl)thiourea; In chloroform-d1; at 0 ℃; for 18h; regioselective reaction;

DOI:10.1021/acs.joc.0c01917

Reference yield:

4-bromo-1-chloro-2-nitrobenzene (16588-24-2) → 5-bromo-2-chloroaniline (60811-17-8)

Guidance literature:

With acetic acid; zinc;

Reference yield:

4-bromo-1-chloro-2-nitrobenzene (16588-24-2) + iron (7439-89-6) → 5-bromo-2-chloroaniline (60811-17-8)

Guidance literature:

With ammonium chloride; In methanol; water;

upstream raw materials:

4-bromo-1-chloro-2-nitrobenzene

chloroform

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

m-Bromoaniline

Downstream raw materials:

2-bromo-5-chloro-[1,4]benzoquinone

5-bromo-2-chlorophenol

N-(5-bromo-2-chloro-phenyl)-acetamide

2-chloro-5-bromofluorobenzene