2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride

Base Information

• Chemical Name: 2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride
• CAS No.: 837-95-6
• Molecular Formula: C7H3ClF3NO4S
• Molecular Weight: 289.619
• Hs Code.: 29049090
• European Community (EC) Number: 625-901-1
• DSSTox Substance ID: DTXSID90379691
• Wikidata: Q72496379
• Mol file: 837-95-6.mol

Synonyms:837-95-6;2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride;2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride;2-nitro-4-trifluoromethylbenzenesulfonyl chloride;2-Nitro-4-(trifluoromethyl)phenylsulfonyl chloride;SCHEMBL2004631;AMY2981;DTXSID90379691;CK2491;MFCD00013456;AKOS000145354;PS-10814;CS-0157126;FT-0613160;2-nitro-4-trifluromethylbenzenesulfonylchloride;EN300-216842;A821385;2-nitro-4-(trifluoromethyl) benzenesulfonyl chloride;2-nitro-4-(trifluoromethyl)benzenesulphonyl chloride;2-nitro-4-trifluoromethyl-benzene sulfonyl chloride;2-Nitro-4-(trifluoromethyl)benzene-1-sulfonylchloride;2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride, 98%

Chemical Property of 2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride

Chemical Property:

• Appearance/Colour: UN 3261 8/PG 2
• Vapor Pressure: 6.99E-11mmHg at 25°C
• Melting Point: 42-44 °C(lit.)
• Refractive Index: 1.466
• Boiling Point: 325.1 °C at 760 mmHg
• Flash Point: 150.4 °C
• PSA: 88.34000
• Density: 1.689 g/cm³
• LogP: 4.14510
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Lachrymatory
• XLogP3: 3.3
• 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:

99% ^*data from raw suppliers

2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xi
• Statements: 34-36/37
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])S(=O)(=O)Cl
• Uses: 2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride may be used in chemical synthesis.

Technology Process of 2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride

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

4-trifluoromethyl-2-nitroaniline (400-98-6) → 2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride (837-95-6)

Guidance literature:

4-trifluoromethyl-2-nitroaniline; With hydrogenchloride; sodium nitrite; at 0 ℃; for 0.75h;

With sulfur dioxide; acetic acid; copper dichloride; for 1.5h;

DOI:10.1021/jm0503897

Reference yield:

1-[3-Amino-2-(2,4-dichlorophenyl)-2-hydroxyprop-1-yl]-1H-1,2,4-triazole (89544-54-7) → 2-(2,4-Dichlorophenyl)-3-(4-trifluromethyl-2-nitrobenzenesulfonamido)-1-(1H-1,2,4-triazol-1-yl)propan-2-ol (159895-57-5) + 2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride (837-95-6)

Guidance literature:

Reference yield:

→ 2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride (837-95-6)

Guidance literature:

4,4'-Bis-(trifluormethyl)-2,2'-dinitro-diphenyldisulfid, 90percent Essigsaeure, Einleiten von Chlor;

DOI:10.1021/jo01080a612

upstream raw materials:

4-trifluoromethyl-2-nitroaniline

1-[3-Amino-2-(2,4-dichlorophenyl)-2-hydroxyprop-1-yl]-1H-1,2,4-triazole

Downstream raw materials:

N-Ethyl-2-nitro-α,α,α-trifluor-p-toluolsulfonsaeureamid

N-(2-nitro-4-trifluoromethylphenylsulphonyl)piperidine-2-carboxylic acid

N-(2-bromophenyl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide

2-Nitro-4-trifluormethylbenzolsulfinsaeure

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