2-Nitro-4-(trifluoromethyl)benzenesulfonamide

Base Information

• Chemical Name: 2-Nitro-4-(trifluoromethyl)benzenesulfonamide
• CAS No.: 577-61-7
• Molecular Formula: C7H5F3N2O4S
• Molecular Weight: 270.189
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID80404542
• Nikkaji Number: J309.033G
• Wikidata: Q82208803
• Mol file: 577-61-7.mol

Synonyms:2-nitro-4-(trifluoromethyl)benzenesulfonamide;577-61-7;2-nitro-4-(trifluoromethyl)benzene-1-sulfonamide;SCHEMBL18455304;DTXSID80404542;GCJFIVMGFRULPF-UHFFFAOYSA-N;GS0951;AKOS009988301;CS-0242786;EN300-255293;2-NITRO-4-TRIFLUOROMETHYL-BENZENESULFONAMIDE;Z448245606

Chemical Property of 2-Nitro-4-(trifluoromethyl)benzenesulfonamide

Chemical Property:

• Boiling Point: 378.5±52.0 °C(Predicted)
• PKA: 8.85±0.60(Predicted)
• PSA: 114.36000
• Density: 1.650±0.06 g/cm3(Predicted)
• LogP: 3.56530
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 269.99221230
• Heavy Atom Count: 17
• Complexity: 397

Purity/Quality:

99% ^*data from raw suppliers

2-NITRO-4-(TRIFLUOROMETHYL)BENZENE-1-SULFONAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])S(=O)(=O)N

Technology Process of 2-Nitro-4-(trifluoromethyl)benzenesulfonamide

There total 3 articles about 2-Nitro-4-(trifluoromethyl)benzenesulfonamide 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:

bis(2-nitro-4-trifluoromethylphenyl) disulfide (860-39-9) → 2-nitro-4-(trifluoromethyl)benzenesulfonamide (577-61-7)

Guidance literature:

With chlorine; acetic acid; Behandeln des Reaktionsprodukts mit wss. NH₃;

DOI:10.1021/ja01527a015

Reference yield:

1-(benzylsulfanyl)-2-nitro-4-(trifluoromethyl)benzene (738-06-7) → 2-nitro-4-(trifluoromethyl)benzenesulfonamide (577-61-7)

Guidance literature:

Multistep reaction; (i) Cl₂, aq. AcOH, (ii) aq. NH₃;

DOI:10.1021/jm00338a008

Reference yield:

→ 2-nitro-4-(trifluoromethyl)benzenesulfonamide (577-61-7)

Guidance literature:

aus Bis-(2-Nitro-α,α,α-trifluor-p-tolyl)-disulfid, 1) Cl2/ CH3COOH, 2) NH4OH;

DOI:10.1021/jo01270a045

upstream raw materials:

bis(2-nitro-4-trifluoromethylphenyl) disulfide

1-(benzylsulfanyl)-2-nitro-4-(trifluoromethyl)benzene

Downstream raw materials:

N-Isobutyryl-2-nitro-4-trifluoromethyl-benzenesulfonamide

2-Amino-N-(2-ethyl-butyryl)-4-trifluoromethyl-benzenesulfonamide

2-Amino-N-isobutyryl-4-trifluoromethyl-benzenesulfonamide

2-amino-4-trifluoromethyl-benzenesulfonamide