1-Chloro-3-iodobenzene

Base Information

• Chemical Name: 1-Chloro-3-iodobenzene
• CAS No.: 625-99-0
• Molecular Formula: C6H4ClI
• Molecular Weight: 238.455
• Hs Code.: 29039990
• European Community (EC) Number: 210-920-6
• NSC Number: 32861
• DSSTox Substance ID: DTXSID4060810
• Nikkaji Number: J95.412H
• Wikidata: Q72452390
• Mol file: 625-99-0.mol

Synonyms:1-Chloro-3-iodobenzene;625-99-0;3-CHLOROIODOBENZENE;m-Chloroiodobenzene;Benzene, 1-chloro-3-iodo-;3-Iodochlorobenzene;3-Chloro-1-iodobenzene;m-Chlorophenyl iodide;1-Chloro-3-iodo-benzene;MFCD00001046;EINECS 210-920-6;NSC 32861;AI3-22030;metachloroiodobenzene;NSC32861;m-chloro iodobenzene;3-chloro-iodobenzene;3-iodo-chlorobenzene;Chloro-3-iodobenzene;1-Iodo-3-chlorobenzene;1-iodo-3-chloro-benzene;3-Chloroiodobenzene, 98%;SCHEMBL139812;1-chloranyl-3-iodanyl-benzene;DTXSID4060810;NSC-32861;AKOS005254984;AM61630;CS-W007365;BP-20201;DS-14649;SY001074;A8651;FT-0615488;EN300-131191;O10397;A833875;W-104986;Z381540752

Chemical Property of 1-Chloro-3-iodobenzene

Chemical Property:

• Appearance/Colour: clear light yellow clear liquid
• Vapor Pressure: 0.102mmHg at 25°C
• Melting Point: 54.5oC
• Refractive Index: n20/D 1.631(lit.)
• Boiling Point: 230 °C at 760 mmHg
• Flash Point: 101.7 °C
• PSA: 0.00000
• Density: 1.926 g/cm³
• LogP: 2.94460
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• Water Solubility.: Soluble in water 67.2 mg/L.
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 237.90463
• Heavy Atom Count: 8
• Complexity: 74.9

Purity/Quality:

99% ^*data from raw suppliers

3-?Chloroiodobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)I)Cl
• Uses: suzuki reaction 1-Chloro-3-iodobenzene is used as a pharmaceutical intermediate.

Technology Process of 1-Chloro-3-iodobenzene

There total 22 articles about 1-Chloro-3-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: 95.0%

3-chlorobenzenediazonium tetrafluoroborate (456-39-3) → 3-iodochlorobenzene (625-99-0)

Guidance literature:

With potassium iodide; In water; at 25 ℃; for 0.0833333h;

DOI:10.2174/1570178614666170907120329

Reference yield: 91.0%

chlorobenzene (108-90-7) → 3-iodochlorobenzene (625-99-0)

Guidance literature:

With tetramethylammonium dibromoiodate(I); at 20 ℃; for 0.25h;

DOI:10.1021/jo0264628

Reference yield: 88.0%

carbon monoxide (201230-82-2) + 1-iodyl-3-chlorobenzene (16825-75-5) → 3-iodochlorobenzene (625-99-0) + 3-chlorobenzoate (535-80-8)

Guidance literature:

With sodium tetrachloropalladate; sodium carbonate; In water; at 40 ℃; for 4.5h; Yields of byproduct given;

DOI:10.1021/jo00070a008

upstream raw materials:

3-chloro-aniline

3-Iodoaniline

2-bromo-1-chloro-4-iodobenzene

m-chlorophenyltrimethylsilane

Downstream raw materials:

3-chlorobenzoate

3,3'-dinitro-1,1'-biphenyl

3-chloro-3'-nitro-biphenyl

1,3-bis(phenylthio)benzene