Cas no 176225-10-8 (4-Bromo-2-(trifluoromethyl)benzene-1-sulfonyl chloride)

4-Bromo-2-(trifluoromethyl)benzene-1-sulfonyl chloride is a versatile sulfonyl chloride derivative used primarily as an intermediate in organic synthesis. Its key structural features—a bromo substituent and a trifluoromethyl group—enhance reactivity, making it valuable for introducing sulfonyl functionalities into target molecules. The compound is particularly useful in pharmaceutical and agrochemical research, where its electron-withdrawing groups facilitate selective transformations. It exhibits high purity and stability under controlled conditions, ensuring reliable performance in coupling reactions and other synthetic applications. The presence of both bromine and trifluoromethyl groups allows for further functionalization, broadening its utility in complex molecule construction. Proper handling under inert conditions is recommended due to its moisture sensitivity.
4-Bromo-2-(trifluoromethyl)benzene-1-sulfonyl chloride structure
176225-10-8 structure
Product Name:4-Bromo-2-(trifluoromethyl)benzene-1-sulfonyl chloride
CAS No:176225-10-8
MF:C7H3BrClF3O2S
MW:323.514729738235
MDL:MFCD03094392
CID:66050
PubChem ID:24879764
Update Time:2025-11-06

4-Bromo-2-(trifluoromethyl)benzene-1-sulfonyl chloride Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-2-(trifluoromethyl)benzene-1-sulfonyl chloride
    • 4-Bromo-2-(trifluoromethyl)benzenesulfonyl chloride
    • 4-Bromo-2-(trifluoromethyl)-benzenesulfonyl chloride
    • 4-bromo-2-trifluoromethylbenzenesulfonyl chloride
    • BUTTPARK 99\11-48
    • 5-Bromo-2-(chlorosulphonyl)benzotrifluoride
    • 4-bromo-2-(trifluoromethyl)phenylsulfonyl chloride
    • 4-BROMO-2-(TRIFLUOROMETHYL)BENZENESULPHONYL CHLORIDE
    • 4-Bromo-2-(trifluoromethyl)benzene chlorosulphonamide
    • 4-Bromo-2-trifluoromethylbenzenesulfonylchloride
    • 4-Bromo-2-(trifluoro
    • 4-Bromo-2-(trifluoromet
    • 4-Bromo-2-(trifluoromethyl)benzenesulphonylchloride98%
    • MFCD03094392
    • 4-bromo-2-trifluoromethyl-benzene sulfonyl chloride
    • 4-bromo-2-(trifluoromethyl)benzenesulfonylchloride
    • A812163
    • [4-bromo-2-(trifluoromethyl)phenyl]sulfonyl chloride
    • DTXSID00381028
    • 176225-10-8
    • 4-bromo-2-trifluoromethylphenyl sulphonyl chloride
    • 4-bromo-2-trifluoromethyl-benzenesulfonyl chloride
    • EN300-50986
    • 4-bromo-2-(trifluoromethyl)benzene sulphonyl chloride
    • AM62507
    • AS-9714
    • Benzenesulfonyl chloride, 4-bromo-2-(trifluoromethyl)-
    • SY026730
    • FT-0617723
    • 4-bromo-2-(trifluoromethyl)benzene sulfonyl chloride
    • J-011174
    • 4-Bromo-2-(trifluoromethyl)benzenesulfonyl chloride, 97%
    • SCHEMBL695564
    • 4-bromo-2-(trifluoromethyl)benzene-1-sulfonylchloride
    • CS-W011989
    • AKOS005254442
    • STL554202
    • BBL100408
    • DB-037947
    • MDL： MFCD03094392
    • Inchi： 1S/C7H3BrClF3O2S/c8-4-1-2-6(15(9,13)14)5(3-4)7(10,11)12/h1-3H
    • InChI Key： YFXYEMZYOMNQLD-UHFFFAOYSA-N
    • SMILES： BrC1C=CC(=C(C(F)(F)F)C=1)S(=O)(=O)Cl

Computed Properties

  • Exact Mass: 321.86800
  • Monoisotopic Mass: 321.868
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 324
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.5
  • Topological Polar Surface Area: 42.5A^2

Experimental Properties

  • Color/Form: solid
  • Density: 1.84
  • Melting Point: 54-58?°C (lit.)
  • Boiling Point: 285.6°Cat760mmHg
  • Flash Point: Degrees Fahrenheit:230°F
    Degrees Celsius:110°C
  • Refractive Index: 1.516
  • PSA: 42.52000
  • LogP: 4.47620
  • Sensitiveness: Moisture Sensitive
  • Solubility: Not determined

4-Bromo-2-(trifluoromethyl)benzene-1-sulfonyl chloride Security Information

  • Symbol: GHS05
  • Signal Word：Danger
  • Hazard Statement： H314
  • Warning Statement： P280-P305 + P351 + P338-P310
  • Hazardous Material transportation number：UN 3261 8/PG 2
  • WGK Germany：3
  • Hazard Category Code： 34
  • Safety Instruction： S26-S36/37/39-S45
  • Hazardous Material Identification： C
  • Safety Term：8
  • Packing Group：III
  • Risk Phrases：R34
  • HazardClass：8
  • PackingGroup：III

4-Bromo-2-(trifluoromethyl)benzene-1-sulfonyl chloride Customs Data

  • HS CODE：2904909090
  • Customs Data：

    China Customs Code:

    2904909090

    Overview:

    2904909090 Sulfonation of other hydrocarbons\nitrification\Nitrosative derivative(Whether halogenated or not). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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4-Bromo-2-(trifluoromethyl)benzene-1-sulfonyl chloride Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:176225-10-8)4-溴-2-(三氟甲基)苯磺酰氯
Order Number:LE1749117
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:35
Price ($):discuss personally

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Additional information on 4-Bromo-2-(trifluoromethyl)benzene-1-sulfonyl chloride

4-Bromo-2-(Trifluoromethyl)benzene-1-Sulfonyl Chloride: A Comprehensive Overview

4-Bromo-2-(Trifluoromethyl)benzene-1-Sulfonyl Chloride, also known by its CAS number 176225-10-8, is a highly specialized organic compound with significant applications in various fields of chemistry. This compound is characterized by its unique structure, which combines a sulfonyl chloride group with a bromine atom and a trifluoromethyl group on a benzene ring. The presence of these substituents imparts distinctive chemical properties, making it an invaluable reagent in synthetic organic chemistry.

The molecular structure of 4-Bromo-2-(Trifluoromethyl)benzene-1-Sulfonyl Chloride consists of a benzene ring with three substituents: a sulfonyl chloride group at the 1-position, a bromine atom at the 4-position, and a trifluoromethyl group at the 2-position. This arrangement creates a highly electron-deficient aromatic system due to the electron-withdrawing nature of the sulfonyl chloride and trifluoromethyl groups. The bromine atom further contributes to the compound's reactivity by providing an additional site for substitution reactions.

One of the most notable applications of this compound is in the synthesis of sulfonamides, which are widely used in pharmaceuticals and agrochemicals. The sulfonyl chloride group in 4-Bromo-2-(Trifluoromethyl)benzene-1-Sulfonyl Chloride reacts readily with amines to form sulfonamides, which are known for their stability and bioavailability. Recent studies have highlighted the potential of these sulfonamides in developing new drug candidates for treating various diseases, including cancer and infectious diseases.

In addition to its role in pharmaceutical synthesis, 4-Bromo-2-(Trifluoromethyl)benzene-1-Sulfonyl Chloride is also employed as an intermediate in the preparation of advanced materials. For instance, it can be used to synthesize aryl sulfonic acids, which are essential components in the production of high-performance polymers and electronic materials. The trifluoromethyl group enhances the thermal stability and chemical resistance of these materials, making them suitable for use in extreme environments.

The synthesis of 4-Bromo-2-(Trifluoromethyl)benzene-1-Sulfonyl Chloride typically involves multi-step reactions starting from bromobenzene derivatives. One common approach involves the introduction of the trifluoromethyl group via electrophilic substitution followed by sulfonation using sulfur trioxide or other sulfonylation agents. The final step involves converting the sulfonic acid into its corresponding sulfonyl chloride using thionyl chloride or similar reagents.

The reactivity of 4-Bromo-2-(Trifluoromethyl)benzene-1-Sulfonyl Chloride is influenced by its electronic structure. The sulfonyl chloride group is highly electrophilic due to the strong electron-withdrawing effects of both sulfur and chlorine atoms. This makes it an excellent electrophile in nucleophilic substitution reactions, particularly with amine nucleophiles. The bromine atom at the para position further activates the ring towards nucleophilic aromatic substitution under certain conditions.

Recent advancements in catalytic methods have enabled more efficient and selective syntheses of this compound. For example, researchers have developed catalysts that facilitate the introduction of trifluoromethyl groups onto aromatic rings under mild conditions. These innovations have significantly reduced production costs and improved yields, making 4-Bromo-2-(Trifluoromethyl)benzene-1-Sulfonyl Chloride more accessible for industrial applications.

In terms of safety considerations, handling this compound requires appropriate precautions due to its reactive nature. It should be stored in a cool, dry place away from moisture and incompatible materials. Personal protective equipment such as gloves and goggles should be worn during handling to minimize exposure risks.

The environmental impact of 4-Bromo-2-(Trifluoromethyl)benzene-1-Sulfonyl Chloride has also been a topic of recent research interest. Studies have shown that this compound degrades relatively quickly under certain environmental conditions, reducing its persistence in ecosystems. However, further investigations are needed to fully understand its long-term effects on aquatic and terrestrial environments.

In conclusion, 4-Bromo-2-(Trifluoromethyl)benzene-1-Sulfonyl Chloride, CAS No: 176225-10-8, is a versatile compound with wide-ranging applications in pharmaceuticals, materials science, and organic synthesis. Its unique chemical properties make it an invaluable tool for researchers and industry professionals alike. As ongoing research continues to uncover new uses and improve synthesis methods, this compound is poised to play an even more significant role in advancing modern chemistry.

176225-10-8 (4-Bromo-2-(trifluoromethyl)benzene-1-sulfonyl chloride) Related Products

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(CAS:176225-10-8)4-溴-2-(三氟甲基)苯磺酰氯
LE1749117
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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