p-Nitrophenyl iodoacetate

Base Information

• Chemical Name: p-Nitrophenyl iodoacetate
• CAS No.: 31252-85-4
• Molecular Formula: C8H6 I N O4
• Molecular Weight: 307.044
• Hs Code.: 2915900090
• European Community (EC) Number: 250-536-6
• DSSTox Substance ID: DTXSID8067604
• Nikkaji Number: J267.261H
• Wikidata: Q81994221
• ChEMBL ID: CHEMBL3272660
• Mol file: 31252-85-4.mol

Synonyms:4-nitrophenyl iodoacetate;p-nitrophenyl iodoacetate

Chemical Property of p-Nitrophenyl iodoacetate

Chemical Property:

• Vapor Pressure: 4.27E-06mmHg at 25°C
• Melting Point: 79-82 °C
• Boiling Point: 383.8°C at 760 mmHg
• Flash Point: 185.9°C
• PSA: 72.12000
• Density: 1.946g/cm³
• LogP: 2.45840
• Storage Temp.: 2-8°C
• Solubility.: Dichloromethane, Ether, Ethyl Acetate, Methanol
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 306.93416
• Heavy Atom Count: 14
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

p-Nitrophenyl Iodoacetate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CI
• Uses: A sulfhydryl reactive compound. A sulfhydryl reactive compound

Technology Process of p-Nitrophenyl iodoacetate

There total 2 articles about p-Nitrophenyl iodoacetate 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: 74.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + Iodoacetic acid (64-69-7) → Iodoacetic acid 4-nitrophenyl ester (31252-85-4)

Guidance literature:

With dicyclohexyl-carbodiimide; In ethyl acetate; for 1h; Ambient temperature;

DOI:10.1080/00397919108020837

Reference yield:

→ Iodoacetic acid 4-nitrophenyl ester (31252-85-4)

Guidance literature:

p-Nitrophenol, Iodessigsaeure, Dicyclohexylcarbodiimid;

DOI:10.1021/bi00745a019

Reference yield: 80.0%

Iodoacetic acid 4-nitrophenyl ester (31252-85-4) + diazocyclopentadien-2-ylcarboxylic acid (30778-59-7) → p-nitrophenyl (1-diazocyclopenta-2,4-dien-2-ylcarbonyloxy)acetate (366446-41-5)

Guidance literature:

With triethylamine; In acetone; at 20 ℃;

DOI:10.1039/b104945n

upstream raw materials:

4-nitro-phenol

Iodoacetic acid

Downstream raw materials:

(+)-S-2-amino-5-iodoacetamidopentanoic acid

(+)-S-2-amino-6-iodoacetamidohexanoic acid

p-nitrophenolate

p-nitrophenyl (1-diazocyclopenta-2,4-dien-2-ylcarbonyloxy)acetate