4-Nitrophenyl chloroacetate

Base Information

• Chemical Name: 4-Nitrophenyl chloroacetate
• CAS No.: 777-84-4
• Molecular Formula: C8H6 Cl N O4
• Molecular Weight: 215.593
• Hs Code.: 2915400090
• European Community (EC) Number: 636-076-2
• NSC Number: 8274
• DSSTox Substance ID: DTXSID60228329
• Nikkaji Number: J293.886C
• ChEMBL ID: CHEMBL3272658
• Mol file: 777-84-4.mol

Synonyms:2-chloro-4-nitrophenyl acetate

Chemical Property of 4-Nitrophenyl chloroacetate

Chemical Property:

• Vapor Pressure: 0.000128mmHg at 25°C
• Melting Point: 73-75 °C
• Boiling Point: 334.5°C at 760 mmHg
• Flash Point: 156.1°C
• PSA: 72.12000
• Density: 1.434g/cm³
• LogP: 2.26220
• Storage Temp.: Refrigerator (+4°C)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 214.9985354
• Heavy Atom Count: 14
• Complexity: 220

Purity/Quality:

99.5% ^*data from raw suppliers

4-NitrophenylChloroacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CCl

Technology Process of 4-Nitrophenyl chloroacetate

There total 5 articles about 4-Nitrophenyl chloroacetate 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: 81.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + chloroacetyl chloride (79-04-9) → chloroacetic acid 4-nitrophenyl ester (777-84-4)

Guidance literature:

With pyridine; In tetrahydrofuran; for 0.5h;

Reference yield: 76.0%

diazo-acetic acid 2-fluoro-phenyl ester (274679-41-3) → chloroacetic acid 4-nitrophenyl ester (777-84-4)

Guidance literature:

With hydrogenchloride; In chloroform; at 0 - 5 ℃;

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + chloroacetic acid (79-11-8) → chloroacetic acid 4-nitrophenyl ester (777-84-4)

Guidance literature:

With dicyclohexyl-carbodiimide; In ethyl acetate;

upstream raw materials:

4-nitro-phenol

chloroacetyl chloride

chloroacetic acid

diazo-acetic acid 2-fluoro-phenyl ester

Downstream raw materials:

2-amino-4-(4-nitrophenoxy)thiazole

4-nitrophenyl propionate

3-Methanesulfinyl-propionic acid 4-nitro-phenyl ester

Methanesulfinyl-acetic acid 4-nitro-phenyl ester

Refernces

• 1、 Dubey, Shiv Kumar,Dwivedi, Vishnu,Misra, Krishna. "Novel method for preparation of monoesters of symmetric diphenolic compounds like curcumin (1,7-bis(4-hydroxy-3-methoxy phenyl)-1,6-heptadiene-3,5- dione) via solid-phase synthesis". . p. 4265 - 4271. Retrieved 2008/03/13.
• 2、 Possidonio, Shirley,Siviero, Fabio,El Seoud, Omar A.. "Kinetics of the pH-independent hydrolysis of 4-nitrophenyl chloroformate in aqueous micellar solutions: Effects of the charge and structure of the surfactant". . p. 325 - 332. Retrieved 2007/10/03.