2-Nitrophenyl chloroformate

Base Information

• Chemical Name: 2-Nitrophenyl chloroformate
• CAS No.: 50353-00-9
• Molecular Formula: C7H4ClNO4
• Molecular Weight: 201.566
• Hs Code.: 2915900090
• European Community (EC) Number: 624-462-3
• DSSTox Substance ID: DTXSID501346751
• Mol file: 50353-00-9.mol

Synonyms:2-Nitrophenyl chloroformate;50353-00-9;(2-nitrophenyl) carbonochloridate;nitrophenyl chloroformate;2-Nitrophenyl carbonochloridate;SCHEMBL223281;FHLXUWOHGKLDNF-UHFFFAOYSA-N;2-Nitrophenyl chloroformate, 95%;DTXSID501346751;FT-0639894;EN300-1612342

Chemical Property of 2-Nitrophenyl chloroformate

Chemical Property:

• Vapor Pressure: 0.00451mmHg at 25°C
• Melting Point: 35-38 °C(lit.)
• Refractive Index: 1.577
• Boiling Point: 277.5 °C at 760 mmHg
• Flash Point: 121.6 °C
• PSA: 72.12000
• Density: 1.506 g/cm³
• LogP: 2.85560
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 200.9828853
• Heavy Atom Count: 13
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

2-NitrophenylChloroformate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 22-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Nitrophenyl chloroformate

There total 3 articles about 2-Nitrophenyl chloroformate 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%

phosgene (75-44-5) + sodium o-nitrophenate (824-39-5) → 2-nitrophenyl chloroformate (50353-00-9)

Guidance literature:

In toluene; at 0 - 20 ℃;

DOI:10.1021/jm00377a008

Reference yield: 86.0%

phosgene (75-44-5) + 2-hydroxynitrobenzene (88-75-5,78813-12-4) → 2-nitrophenyl chloroformate (50353-00-9)

Guidance literature:

With potassium carbonate; In dichloromethane; at 25 ℃; Green chemistry;

DOI:10.1080/00397911.2012.709300

Reference yield:

→ 2-nitrophenyl chloroformate (50353-00-9)

Guidance literature:

upstream raw materials:

phosgene

2-hydroxynitrobenzene

sodium o-nitrophenate

Downstream raw materials:

N-(2-nitro-phenoxycarbonyl)-DL-alanine

mononitrophenyl carbonate

nitrophenyl carbamate

N-(2-nitro-phenoxycarbonyl)-glycine ethyl ester

Refernces

• 1、 Johnston, Thomas P.,Kussner, Conrad L.,Carter, Ronald L.,Frye, Jerry L.,Lomax, Nancita R.,et al.. "Studies on Synthesis and Anticancer Activity of Selected N-(2-Fluoroethyl)-N-nitrosoureas". . p. 1422 - 1426. Retrieved 2007/10/02.