4-Nitro-2-(trifluoromethyl)benzene-1-sulfonyl chloride

Base Information

• Chemical Name: 4-Nitro-2-(trifluoromethyl)benzene-1-sulfonyl chloride
• CAS No.: 444-46-2
• Molecular Formula: C₇H₃ClF₃NO₄S
• Molecular Weight: 289.619
• European Community (EC) Number: 863-329-6
• Mol file: 444-46-2.mol

Synonyms:4-nitro-2-(trifluoromethyl)benzene-1-sulfonyl chloride;444-46-2;4-nitro-2-(trifluoromethyl)benzenesulfonyl Chloride;C7H3ClF3NO4S;SCHEMBL1870872;CS-0223225;EN300-114399;4-Nitro-2-trifluoromethyl-benzenesulfonyl chloride;4-nitro-2-trifluoromethyl-benzene sulphonyl chloride;4-nitro-2-trifluoromethylbenzene sulphonyl chloride;4-nitro-2-(trifluoromethyl)benzene-1-sulfonylchloride

Chemical Property of 4-Nitro-2-(trifluoromethyl)benzene-1-sulfonyl chloride

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 288.9423409
• Heavy Atom Count: 17
• Complexity: 399

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4-Nitro-2-(trifluoromethyl)benzene-1-sulfonyl chloride

There total 2 articles about 4-Nitro-2-(trifluoromethyl)benzene-1-sulfonyl chloride 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: 71.0%

4-nitro-2-trifluoromethyl-aniline (121-01-7) → 4-nitro-2-(trifluoromethyl)benzenesulfonyl chloride (444-46-2)

Guidance literature:

4-nitro-2-trifluoromethyl-aniline; With hydrogenchloride; acetic acid; sodium nitrite; In water; at 15 ℃; for 3h; Inert atmosphere;

With sulfur dioxide; copper dichloride; In water; at 5 - 20 ℃;

DOI:10.1021/jm201310y

Reference yield:

→ 4-nitro-2-(trifluoromethyl)benzenesulfonyl chloride (444-46-2)

Guidance literature:

With phosphorus pentachloride;

DOI:10.1021/ja01155a032

Reference yield: 87.0%

phenylmethyl 1-piperazinecarboxylate (31166-44-6) + 4-nitro-2-(trifluoromethyl)benzenesulfonyl chloride (444-46-2) → 4-(4-nitro-2-trifluoromethylbenzenesulfonyl)piperazine-1-carboxylic acid benzyl ester (1306723-07-8)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/jm201310y

upstream raw materials:

4-nitro-2-trifluoromethyl-aniline

Downstream raw materials:

4-nitro-2-(trifluoromethyl)benzenesulfonamide

methyl N-((4-nitro-2-(trifluoromethyl)phenyl)sulfonyl)glycinate

4-Amino-2-(trifluoromethyl)benzenesulfonamide

4-Prop-2-ynylamino-2-trifluoromethyl-benzenesulfonamide