Cas no 382-70-7 (1-chloro-2-(trifluoromethylsulfonyl)benzene)

1-Chloro-2-(trifluoromethylsulfonyl)benzene is a versatile organosulfur compound featuring a chloro-substituted benzene ring and a trifluoromethylsulfonyl (–SO?CF?) functional group. This structure imparts strong electron-withdrawing properties, making it valuable as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The trifluoromethylsulfonyl group enhances reactivity in cross-coupling reactions and acts as a robust leaving group in nucleophilic substitutions. Its stability under various reaction conditions and compatibility with diverse synthetic methodologies underscore its utility in fine chemical applications. The compound’s high purity and well-defined reactivity profile ensure consistent performance in demanding synthetic processes.
1-chloro-2-(trifluoromethylsulfonyl)benzene structure
382-70-7 structure
Product Name:1-chloro-2-(trifluoromethylsulfonyl)benzene
CAS No:382-70-7
MF:C7H4ClF3O2S
MW:244.618670463562
MDL:MFCD00804846
CID:2824961
PubChem ID:4335397
Update Time:2025-11-02

1-chloro-2-(trifluoromethylsulfonyl)benzene Chemical and Physical Properties

Names and Identifiers

    • 1-chloro-2-(trifluoromethylsulfonyl)benzene
    • 1-chloro-2-trifluoromethanesulfonyl-benzene;2-Chlor-1-trifluormethylsulfon-benzol;(2-Chlor-phenyl)-trifluormethyl-sulfon;2-Chlorophenyltrifluoromethylsulphone;(2-chloro-phenyl)-trifluoromethyl sulfone;Benzene,1-chloro-2-[(trifluoromethyl)sulfonyl];o-Chlorphenyl-trifluormethyl-sulfon;o-Trifluormethansulfonyl-chlorbenzol;
    • 1-Chloro-2-[(trifluoromethyl)sulfonyl]benzene
    • EU-0000237
    • 1-Chloro-2-((trifluoromethyl)sulfonyl)benzene
    • SR-01000390075-1
    • 382-70-7
    • MFCD00804846
    • 1-chloro-2-trifluoromethanesulfonyl-benzene
    • DTXSID60402041
    • 2-(Trifluoromethylsulfonyl)chlorobenzene
    • Benzene, 1-chloro-2-[(trifluoromethyl)sulfonyl]-
    • DB-191071
    • SR-01000390075
    • SCHEMBL4433417
    • AKOS021983358
    • G75343
    • 2-(Trifluoromethylsulfonyl)chlorobenzene; 98%
    • MDL: MFCD00804846
    • Inchi: 1S/C7H4ClF3O2S/c8-5-3-1-2-4-6(5)14(12,13)7(9,10)11/h1-4H
    • InChI Key: BHTJSAXMAMTBNJ-UHFFFAOYSA-N
    • SMILES: ClC1C=CC=CC=1S(C(F)(F)F)(=O)=O

Computed Properties

  • Exact Mass: 243.95700
  • Monoisotopic Mass: 243.9572627g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 293
  • 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
  • XLogP3: 2.6
  • Topological Polar Surface Area: 42.5?2

Experimental Properties

  • PSA: 42.52000
  • LogP: 3.71430

1-chloro-2-(trifluoromethylsulfonyl)benzene 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%

1-chloro-2-(trifluoromethylsulfonyl)benzene Pricemore >>

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1-chloro-2-(trifluoromethylsulfonyl)benzene Related Literature

Additional information on 1-chloro-2-(trifluoromethylsulfonyl)benzene

Comprehensive Guide to 1-Chloro-2-(trifluoromethylsulfonyl)benzene (CAS No. 382-70-7): Properties, Applications, and Industry Insights

1-Chloro-2-(trifluoromethylsulfonyl)benzene, identified by its CAS number 382-70-7, is a specialized organic compound gaining attention in pharmaceutical and agrochemical research. This aromatic sulfone derivative features a unique combination of chloro and trifluoromethylsulfonyl functional groups, making it valuable for synthesizing advanced intermediates. Its molecular structure (C7H4ClF3O2S) exhibits exceptional stability under various reaction conditions, a property highly sought after in modern synthetic chemistry.

Recent studies highlight the compound's role in developing crop protection agents and pharmaceutical precursors, aligning with growing industry demands for sustainable solutions. Researchers particularly value its electron-withdrawing characteristics, which facilitate nucleophilic aromatic substitution reactions – a frequent search topic among organic chemists in academic forums. The trifluoromethylsulfonyl moiety enhances metabolic stability in bioactive molecules, addressing a key challenge in drug discovery pipelines.

From a technical perspective, 382-70-7 demonstrates remarkable thermal stability (decomposition temperature >250°C) and moderate solubility in polar aprotic solvents like DMF or acetonitrile. These properties make it suitable for high-temperature reactions – a trending subject in process chemistry optimization discussions. Analytical characterization typically involves GC-MS (retention time ~12.3 min on DB-5 columns) and distinctive 19F NMR signals at δ -78 ppm, data frequently requested in chemical research communities.

Environmental considerations position this compound favorably, as its low bioaccumulation potential meets current regulatory priorities. Industry reports indicate growing adoption in electronic materials manufacturing, where its sulfone group contributes to dielectric properties – a hot topic in semiconductor research. The compound's compatibility with green chemistry principles (atom economy >85% in common reactions) responds to sustainability-focused search queries from chemical engineers.

Market analysis reveals increasing patent filings involving 1-chloro-2-(trifluoromethylsulfonyl)benzene, particularly for heterocyclic compound synthesis – currently a high-growth segment. Its application in creating liquid crystal intermediates connects with display technology advancements, generating substantial interest in materials science circles. Quality specifications typically require ≥98% purity (HPLC), with moisture content <0.5% for optimal performance in sensitive reactions.

Handling protocols emphasize standard organic compound precautions, with particular attention to its hygroscopic nature – a frequently discussed storage consideration in laboratory forums. The compound's crystalline form at room temperature facilitates precise weighing, addressing common formulation accuracy questions. Recent process innovations have improved its synthesis yield to >90% through optimized sulfonation-chlorination sequences, a technical breakthrough documented in several 2023-2024 journal publications.

Emerging applications include its use as a ligand modifier in catalytic systems, particularly for cross-coupling reactions that dominate current medicinal chemistry literature. The 382-70-7 structure shows promising results in polymer modification studies, correlating with increased searches for specialty additives in material science databases. Its UV stability makes it suitable for outdoor material formulations, meeting durability requirements in construction chemical innovations.

Analytical method development for 1-chloro-2-(trifluoromethylsulfonyl)benzene remains an active research area, with recent advances in HPLC-MS quantification techniques (LOQ <0.1 ppm) responding to quality control challenges. The compound's vapor pressure profile (0.01 hPa at 25°C) makes it suitable for vapor-phase deposition processes, connecting with semiconductor manufacturing trends. Regulatory status reviews confirm its compliance with major chemical inventories (TSCA, REACH, etc.), a common concern among international suppliers.

Future research directions likely focus on its chiral derivative synthesis potential and computational modeling applications – both trending topics in computational chemistry forums. The compound's compatibility with continuous flow chemistry systems addresses industry's shift toward process intensification, while its scalable production methods meet commercial viability requirements frequently searched by process chemists. These multifaceted applications position CAS 382-70-7 as a compound of significant interdisciplinary interest.

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