Iodoacetyl chloride

Base Information

• Chemical Name: Iodoacetyl chloride
• CAS No.: 38020-81-4
• Molecular Formula: C2H2 Cl I O
• Molecular Weight: 204.395
• Hs Code.: 2915900090
• European Community (EC) Number: 253-748-7
• DSSTox Substance ID: DTXSID90958985
• Nikkaji Number: J261.285B
• Wikidata: Q82939565
• Mol file: 38020-81-4.mol

Synonyms:Iodoacetyl chloride;38020-81-4;2-iodoacetyl chloride;Iodoacetylchloride;Acetyl chloride, iodo-;EINECS 253-748-7;Jodacetylchlorid;C2H2ClIO;iodoacetic acid chloride;SCHEMBL56487;C2-H2-Cl-I-O;DTXSID90958985;BSVMPWANOMFSPR-UHFFFAOYSA-N;MFCD00013718;AKOS028108745;AS-57231;FT-0627259

Chemical Property of Iodoacetyl chloride

Chemical Property:

• Vapor Pressure: 1.89mmHg at 25°C
• Boiling Point: 165.2°Cat760mmHg
• Flash Point: 53.7°C
• PSA: 17.07000
• Density: 2.299g/cm³
• LogP: 1.18680
• Water Solubility.: Miscible with water.
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 203.88389
• Heavy Atom Count: 5
• Complexity: 44.9

Purity/Quality:

98%Min ^*data from raw suppliers

IodoacetylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: R34:Causes burns.
• Statements: R34:Causes burns.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)Cl)I
• Uses: Iodoacetyl chloride is used for biochemical research purposes.

Technology Process of Iodoacetyl chloride

There total 4 articles about Iodoacetyl chloride 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: 97.2%

Iodoacetic acid (64-69-7) → 2-iodoacetyl chloride (38020-81-4)

Guidance literature:

With thionyl chloride; In ethyl acetate; at 20 ℃; for 24h;

DOI:10.1021/ol025627w

Reference yield:

Iodoacetic acid (64-69-7) → 2-iodoacetyl chloride (38020-81-4) + iodoacetic anhydride (54907-61-8)

Guidance literature:

With thionyl chloride; at 45 - 50 ℃;

Reference yield:

thionyl chloride (7719-09-7) + Iodoacetic acid (64-69-7) → 2-iodoacetyl chloride (38020-81-4) + iodoacetic anhydride (54907-61-8)

Guidance literature:

upstream raw materials:

Ketene

tetrachloromethane

Iodoacetic acid

thionyl chloride

Downstream raw materials:

[4-(2-iodo-acetylamino)-phenyl]-arsonic acid

(2-iodoacetyl)-L-tyrosine

iodoacetic acid-[(1RS,2RS)-2-hydroxy-1-hydroxymethyl-2-(4-nitro-phenyl)-ethylamide]

4-Iodacetamidosalicylsaeure

Refernces

• 1、 Gung, Benjamin W.,Emenike, Bright U.,Lewis, Michael,Kirschbaum, Kristin. "Quantification of CH...π interactions: Implications on how substituent effects influence aromatic interactions". supporting information; experimental part. p. 12357 - 12362. Retrieved 2010/12/25.
• 2、 -. "LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES". Page/Page column 14; 34-35. . Retrieved 2008/06/13.