4-Nitrophenyl chlorothioformate

Base Information

• Chemical Name: 4-Nitrophenyl chlorothioformate
• CAS No.: 1132-69-0
• Molecular Formula: C7H4 Cl N O3 S
• Molecular Weight: 217.633
• NSC Number: 171716
• DSSTox Substance ID: DTXSID90305819
• Nikkaji Number: J876.307K
• Wikidata: Q82052565
• Mol file: 1132-69-0.mol

Synonyms:4-NITROPHENYL CHLOROTHIOFORMATE;1132-69-0;O-(4-nitrophenyl) chloromethanethioate;NSC 171716;NSC171716;SCHEMBL3339990;4-Nitrophenyl chlorothionoformate;DTXSID90305819;MFCD03425108;O-4-nitrophenyl carbonochloridothioate;NSC-171716;Chlorothioformic acid 4-nitrophenyl ester

Chemical Property of 4-Nitrophenyl chlorothioformate

Chemical Property:

• Vapor Pressure: 0.000506mmHg at 25°C
• Melting Point: 61.5-63.0 °C
• Boiling Point: 323.1°Cat760mmHg
• Flash Point: 149.2°C
• PSA: 87.14000
• Density: 1.536g/cm³
• LogP: 3.02050
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 216.9600419
• Heavy Atom Count: 13
• Complexity: 210

Purity/Quality:

97% ^*data from raw suppliers

4-NITROPHENYL CHLOROTHIOFORMATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Nitrophenyl chlorothioformate

There total 3 articles about 4-Nitrophenyl chlorothioformate 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%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + thiophosgene (463-71-8) → 4-nitrophenyl chlorothionoformate (1132-69-0)

Guidance literature:

With sodium hydroxide; In chloroform; water; at 0 - 5 ℃; for 1h;

DOI:10.1002/ejoc.200800231

Reference yield:

thiophosgene (463-71-8) + lithium 4-nitrophenolate (1124-32-9) → 4-nitrophenyl chlorothionoformate (1132-69-0)

Guidance literature:

In tetrahydrofuran;

DOI:10.1021/jo970276y

Reference yield:

→ 4-nitrophenyl chlorothionoformate (1132-69-0)

Guidance literature:

nach Rivier;

upstream raw materials:

4-nitro-phenol

thiophosgene

lithium 4-nitrophenolate

Downstream raw materials:

5-(4-nitrophenyloxy)-1,2,3,4-thiatriazole

O-(4-nitrophenyl) N,N-dimethylcarbamothioate

N-(2-Benzoyl-4-chlorphenyl)-N-methyl-thiocarbamidsaeure-O-(4-nitrophenyl)ester

4-nitrophenyl cyanate