Cas no 50594-82-6 (3,4,5-Trichlorobenzotrifluoride)

3,4,5-Trichlorobenzotrifluoride is a halogenated aromatic compound characterized by the presence of three chlorine atoms and a trifluoromethyl group on the benzene ring. This structure imparts high chemical stability and reactivity, making it a valuable intermediate in organic synthesis, particularly for agrochemicals and pharmaceuticals. Its electron-withdrawing substituents enhance its utility in nucleophilic substitution and cross-coupling reactions. The compound's robust thermal and oxidative stability further supports its use in high-temperature applications. Additionally, the trifluoromethyl group contributes to lipophilicity, which can be advantageous in designing bioactive molecules. Proper handling is essential due to its potential toxicity and environmental persistence.
3,4,5-Trichlorobenzotrifluoride structure
50594-82-6 structure
Product Name:3,4,5-Trichlorobenzotrifluoride
CAS No:50594-82-6
MF:C7H2Cl3F3
MW:249.444989681244
MDL:MFCD00035985
CID:55829
PubChem ID:2733399
Update Time:2025-11-01

3,4,5-Trichlorobenzotrifluoride Chemical and Physical Properties

Names and Identifiers

    • 1,2,3-Trichloro-5-(trifluoromethyl)benzene
    • 1,2,3-Trichloro-5-(trifluoromethyl)-benzene
    • 3,4,5-Trichlorobenzotrifluoride
    • 2,6-dichloro-4-trifluoromethylchlorobenzene
    • 3,4,5-Trichloro-1-trifluoromethylbenzene
    • 3,4,5-Trichloro-3,5-dinitrobenzotrifluoride
    • 3,4,5-Trichlorobenzo
    • 3,4,5-TRICHLOROTRIFLUORIDE
    • 3,4,5-Trichlorotrifluoromethylbenzene
    • 3,4,5-trichlorotrifluoromethylnenzene
    • Benzene, 1,2,3-trichloro-5-(trifluoromethyl)-
    • 3,4,5-TRICHLORO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
    • 3,4,5-TRICHLORO-A,A,A-TRIFLUOROTOLUENE
    • PubChem19737
    • KSC914I9J
    • 3,4,5-trichloro-benzotrifluoride
    • FBKFIAIRSQOXJR-UHFFFAOYSA-N
    • SBB100622
    • EINECS 256-636-6
    • MFCD00035985
    • W-105945
    • T2281
    • 3,4,5-trichloro-alpha,alpha,alpha-triflurotoluene
    • SY050127
    • FT-0614130
    • 3,4,5-trichloro trifluoromethyl benzene
    • 3,4,5-Trichloro-trifluoromethylbenzene
    • 1-trifluoromethyl-3,4,5-trichlorobenzene
    • 50594-82-6
    • C7H2Cl3F3
    • AC-11802
    • SCHEMBL981089
    • DTXSID00198633
    • 88UV3JQC3W
    • AS-12623
    • A7503
    • EN300-19635
    • 1,2,3-trichloro-5-(trifluoromethyl)benzene;3,4,5-Trichlorobenzotrifluoride
    • AKOS009031528
    • EC 256-636-6
    • InChI=1/C7H2Cl3F3/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2
    • CS-W012655
    • CK2381
    • 3,4,5-trichloro-alpha,alpha,alpha--trifluorotoluene
    • NS00005972
    • MDL: MFCD00035985
    • Inchi: 1S/C7H2Cl3F3/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H
    • InChI Key: FBKFIAIRSQOXJR-UHFFFAOYSA-N
    • SMILES: ClC1C(=C(C=C(C(F)(F)F)C=1)Cl)Cl
    • BRN: 2212413

Computed Properties

  • Exact Mass: 247.91700
  • Monoisotopic Mass: 247.917
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 170
  • 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: 4.7
  • Topological Polar Surface Area: 0

Experimental Properties

  • Color/Form: liquid
  • Density: 1.6
  • Melting Point: -6°C(lit.)
  • Boiling Point: 113°C/50mmHg(lit.)
  • Flash Point: 98 oC
  • Refractive Index: 1.498-1.501
  • PSA: 0.00000
  • LogP: 4.66560
  • Solubility: Not determined

3,4,5-Trichlorobenzotrifluoride Security Information

3,4,5-Trichlorobenzotrifluoride Customs Data

  • HS CODE:2903999090
  • Customs Data:

    China Customs Code:

    2903999090

    Overview:

    2903999090 Other aromatic halogenated derivatives. 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:

    2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

3,4,5-Trichlorobenzotrifluoride Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI XIAN DING Biotechnology Co., Ltd.
T2281-25g
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50594-82-6 98.0%(GC)
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¥1150.0 2022-09-28
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SHANG HAI XIAN DING Biotechnology Co., Ltd.
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SHANG HAI XIAN DING Biotechnology Co., Ltd.
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SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
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3,4,5-Trichlorobenzotrifluoride Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:50594-82-6)3,4,5-Trichlorobenzotrifluoride
Order Number:LE1594;LE9167889
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 11:41
Price ($):discuss personally
Suzhou Senfeida Chemical Co., Ltd
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(CAS:50594-82-6)3,4,5-Trichlorobenzotrifluoride
Order Number:sfd6822
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:34
Price ($):discuss personally

3,4,5-Trichlorobenzotrifluoride Related Literature

Additional information on 3,4,5-Trichlorobenzotrifluoride

Comprehensive Guide to 3,4,5-Trichlorobenzotrifluoride (CAS No. 50594-82-6): Properties, Applications, and Industry Insights

3,4,5-Trichlorobenzotrifluoride (CAS No. 50594-82-6) is a specialized halogenated aromatic compound that has garnered significant attention in industrial and research applications due to its unique chemical structure. This compound, characterized by three chlorine atoms and a trifluoromethyl group attached to a benzene ring, exhibits remarkable stability and reactivity, making it valuable for synthetic chemistry and material science. Its molecular formula, C7H2Cl3F3, reflects a balance of electrophilic and lipophilic properties, which are critical for designing advanced materials.

In recent years, the demand for fluorinated intermediates like 3,4,5-Trichlorobenzotrifluoride has surged, driven by trends in green chemistry and sustainable manufacturing. Researchers frequently search for "halogenated benzene derivatives uses" or "trifluoromethyl group applications," highlighting the compound's role in pharmaceuticals, agrochemicals, and liquid crystal displays (LCDs). Its ability to act as a building block for complex molecules aligns with the growing focus on high-performance materials and low-environmental-impact syntheses.

The physicochemical properties of 50594-82-6 include a high boiling point (approximately 220–230°C) and low water solubility, which make it suitable for high-temperature reactions. Analytical techniques such as GC-MS and NMR spectroscopy are commonly employed to verify its purity, a topic often queried as "how to analyze 3,4,5-Trichlorobenzotrifluoride." These methods ensure compliance with industry standards, particularly in sectors like electronic chemicals and specialty coatings.

From an industrial perspective, 3,4,5-Trichlorobenzotrifluoride serves as a precursor for photoacid generators (PAGs) used in semiconductor lithography—a response to the global chip shortage crisis. Searches for "chemicals for semiconductor fabrication" or "advanced lithography materials" underscore its relevance. Additionally, its derivatives are explored in organic light-emitting diodes (OLEDs), addressing the demand for energy-efficient display technologies.

Environmental and safety considerations are also pivotal. While not classified as hazardous under standard regulations, proper handling protocols for halogenated compounds are emphasized in queries like "storage conditions for benzotrifluorides." Innovations in catalytic fluorination methods further reduce synthetic waste, aligning with circular economy principles—a hot topic in 2024.

In summary, 3,4,5-Trichlorobenzotrifluoride (CAS No. 50594-82-6) bridges multiple cutting-edge fields, from material science to sustainable chemistry. Its versatility and alignment with industry trends ensure its continued importance, while ongoing research explores novel applications in renewable energy and biodegradable polymers.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:50594-82-6)3,4,5-Trichlorobenzotrifluoride
LE1594;LE9167889
Purity:99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry
Email
Suzhou Senfeida Chemical Co., Ltd
(CAS:50594-82-6)3,4,5-Trichlorobenzotrifluoride
sfd6822
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email