1-Bromo-3-chloro-2-iodobenzene

Base Information

• Chemical Name: 1-Bromo-3-chloro-2-iodobenzene
• CAS No.: 450412-28-9
• Molecular Formula: C6H3BrClI
• Molecular Weight: 317.351
• Hs Code.: 2903999090
• European Community (EC) Number: 807-252-8
• DSSTox Substance ID: DTXSID50438359
• Nikkaji Number: J1.780.445F
• Wikidata: Q82254077
• Mol file: 450412-28-9.mol

Synonyms:1-Bromo-3-chloro-2-iodobenzene;450412-28-9;MFCD09907935;Benzene, 1-?bromo-?3-?chloro-?2-?iodo-;2-Bromo-6-chloroiodobenzene;SCHEMBL1768179;1-Bromo-2-iodo-3-chlorobenzene;DTXSID50438359;AMY20755;RB3341;AKOS016002226;SY047433;B5765;CS-0097777;FT-0696392;A872431

Chemical Property of 1-Bromo-3-chloro-2-iodobenzene

Chemical Property:

• Vapor Pressure: 0.00471mmHg at 25°C
• Melting Point: 75-76 °C(Solv: ethanol (64-17-5))
• Refractive Index: 1.663
• Boiling Point: 285.9 °C at 760 mmHg
• Flash Point: 126.7 °C
• PSA: 0.00000
• Density: 2.272 g/cm³
• LogP: 3.70710
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 315.81514
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

98% ^*data from raw suppliers

1-Bromo-3-chloro-2-iodobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Bromo-3-chloro-2-iodobenzene

There total 2 articles about 1-Bromo-3-chloro-2-iodobenzene 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: 91.0%

1-bromo-3-chlorobenzene (108-37-2) → 1-bromo-2-iodo-3-chlorobenzene (450412-28-9)

Guidance literature:

1-bromo-3-chlorobenzene; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃; for 3h;

With iodine; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 20h;

Reference yield: 73.0%

→ 1-bromo-2-iodo-3-chlorobenzene (450412-28-9)

Guidance literature:

With hydrogenchloride; sodium nitrite; In water; at 0 - 5 ℃; for 1h;

With potassium iodide; In water; at 50 ℃; for 24h;

Reference yield: 89.0%

(S)-N-t-butoxycarbonyl-2-phenylmethyl aziridine (153782-96-8) + 1-bromo-2-iodo-3-chlorobenzene (450412-28-9) → C20H23BrClNO2 (1142923-82-7)

Guidance literature:

1-bromo-3-chloro-2-iodobenzene; With n-butyllithium; In hexane; toluene; at -78 ℃;

(S)-N-t-butoxycarbonyl-2-phenylmethyl aziridine; With boron trifluoride diethyl etherate; In toluene; at -78 ℃;

DOI:10.1016/j.tetlet.2009.02.047

upstream raw materials:

1-bromo-3-chlorobenzene

Downstream raw materials:

C₁₄H₁₉BrClNO₂

C₂₀H₂₃BrClNO₂

C₁₆H₂₃BrClNO₂

C₁₉H₂₁BrClNO₂

Refernces

• 1、 -. "LIGHT-EMITTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, ORGANIC ELECTROLUMINESCENT DEVICE USING SAME, AND MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE". Paragraph 0144-0147. . Retrieved 2016/10/08.
• 2、 -. "Renin Inhibitors". Page/Page column 47. . Retrieved 2010/12/29.