4-Amino-3-nitrobenzenesulfonyl fluoride

Base Information

• Chemical Name: 4-Amino-3-nitrobenzenesulfonyl fluoride
• CAS No.: 367-87-3
• Molecular Formula: C6H5 F N2 O4 S
• Molecular Weight: 220.1783
• NSC Number: 137838
• DSSTox Substance ID: DTXSID50300608
• Wikidata: Q82043805
• Mol file: 367-87-3.mol

Synonyms:367-87-3;4-Amino-3-nitrobenzene-1-sulfonyl fluoride;4-amino-3-nitrobenzenesulfonyl fluoride;NSC137838;starbld0019494;SCHEMBL7772187;2-Nitro-4-fluorosulphonylaniline;DTXSID50300608;NSC-137838;SB80126

Chemical Property of 4-Amino-3-nitrobenzenesulfonyl fluoride

Chemical Property:

• Vapor Pressure: 1.39E-05mmHg at 25°C
• Boiling Point: 367.2°C at 760 mmHg
• Flash Point: 175.9°C
• Density: 1.639g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 219.99540598
• Heavy Atom Count: 14
• Complexity: 320

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)F)[N+](=O)[O-])N

Technology Process of 4-Amino-3-nitrobenzenesulfonyl fluoride

There total 2 articles about 4-Amino-3-nitrobenzenesulfonyl fluoride 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:

1,4-dioxane (123-91-1,28347-88-8,28347-91-3,39449-24-6,54841-74-6) + p-acetylaminobenzenesulfonyl chloride (121-60-8) → 4-fluorosulfonyl-2-nitroaniline (367-87-3)

Guidance literature:

With hydrogenchloride; KF; nitric acid; In ethanol; sulfuric acid; water;

Reference yield:

→ 4-fluorosulfonyl-2-nitroaniline (367-87-3)

Guidance literature:

entspr. N-Acetat, HCl;

Reference yield: 64.0%

4-hydroxy-N-3-methoxypropyl-1,8-naphthalimide (26411-22-3) + 4-fluorosulfonyl-2-nitroaniline (367-87-3) → C22H17FN4O8S (1206536-02-8)

Guidance literature:

4-fluorosulfonyl-2-nitroaniline; With sulfuric acid; sodium nitrite; In acetic acid; propionic acid; at 5 - 10 ℃; for 3h;

With sodium acetate; In acetic acid; propionic acid; pH=5 - 6;

4-hydroxy-N-3-methoxypropyl-1,8-naphthalimide; In ethyl methyl ether; acetic acid; propionic acid; for 13h;

DOI:10.1002/jccs.200900150

upstream raw materials:

1,4-dioxane

p-acetylaminobenzenesulfonyl chloride

Downstream raw materials:

C₂₂H₁₇FN₄O₈S

C₁₀H₈FN₅O₅S

C₁₆H₁₂FN₅O₅S

C₁₆H₁₁ClFN₅O₅S

Refernces