Cas no 401-79-6 (1-methyl-3-(trifluoromethyl)benzene)

1-Methyl-3-(trifluoromethyl)benzene, also known as 3-(trifluoromethyl)toluene, is a fluorinated aromatic compound with the molecular formula C?H?F?. This colorless liquid is characterized by its high chemical stability and the presence of both a methyl group and a trifluoromethyl group on the benzene ring, which impart unique electronic and steric properties. It serves as a versatile intermediate in organic synthesis, particularly in pharmaceuticals, agrochemicals, and specialty materials, due to its ability to enhance lipophilicity and metabolic stability. The trifluoromethyl group contributes to increased reactivity in electrophilic substitution reactions, making it valuable for fine chemical applications. Its low miscibility with water and compatibility with common organic solvents further facilitate its use in synthetic processes.
1-methyl-3-(trifluoromethyl)benzene structure
401-79-6 structure
Product Name:1-methyl-3-(trifluoromethyl)benzene
CAS No:401-79-6
MF:C8H7F3
MW:160.136392831802
MDL:MFCD00190105
CID:37249
PubChem ID:24870657
Update Time:2025-05-20

1-methyl-3-(trifluoromethyl)benzene Chemical and Physical Properties

Names and Identifiers

    • 1-Methyl-3-(trifluoromethyl)benzene
    • 3-(Trifluoromethyl)toluene~alpha,alpha,alpha-Trifluoro-m-xylene
    • 3-Methylbenzotrifluoride
    • C8H7F3
    • 3-(Trifluoromethyl)toluene
    • Benzene, 1-methyl-3-(trifluoromethyl)-
    • 3-Trifluoromethyltoluene
    • 1-Methyl-3-trifluoromethyl-benzene
    • M-METHYLBENZOTRIFLUORIDE
    • alpha,alpha,alpha-Trifluoro-m-xylene
    • 3-methyl-1-(trifluoromethyl)benzene
    • PubChem1658
    • 3-methyl benzotrifluoride
    • KSC911M2N
    • M-TRIFLUOROMETHYL TOLUENE
    • VJYXZJGDFJJDGF-UHFFFAOYSA-N
    • PS-11764
    • MFCD00190105
    • SCHEMBL148048
    • FT-0616132
    • a,a,a-Trifluoro-m-xylene
    • DTXSID10193139
    • AKOS006222503
    • M2944
    • AM61956
    • CS-W010879
    • m-Xylene, .alpha.,.alpha.,.alpha.-trifluoro-
    • 1-methyl-3-(trifluoromethyl)-benzene
    • 401-79-6
    • AC-4150
    • 3-Methylbenzotrifluoride, 98%
    • A6718
    • 3-(Trifluoromethyl)toluene, alpha,alpha,alpha-Trifluoro-m-xylene
    • DB-000364
    • 626-022-6
    • 1-methyl-3-(trifluoromethyl)benzene
    • MDL: MFCD00190105
    • Inchi: 1S/C8H7F3/c1-6-3-2-4-7(5-6)8(9,10)11/h2-5H,1H3
    • InChI Key: VJYXZJGDFJJDGF-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC=C(C)C=1)(F)F
    • BRN: 1938201

Computed Properties

  • Exact Mass: 160.05000
  • Monoisotopic Mass: 160.05
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 128
  • 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: 3.3
  • Topological Polar Surface Area: 0

Experimental Properties

  • Color/Form: Not available
  • Density: 1.148?g/mL?at 25?°C(lit.)
  • Boiling Point: 130?°C(lit.)
  • Flash Point: Fahrenheit: 80.6 ° f
    Celsius: 27 ° c
  • Refractive Index: n20/D 1.427(lit.)
  • PSA: 0.00000
  • LogP: 3.01380
  • Solubility: Not available

1-methyl-3-(trifluoromethyl)benzene Security Information

  • Symbol: GHS02 GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H226,H315,H319,H335
  • Warning Statement: P261,P305+P351+P338
  • Hazardous Material transportation number:UN 1993 3/PG 3
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36
  • Hazardous Material Identification: Xi
  • HazardClass:3
  • PackingGroup:III
  • Storage Condition:Sealed in dry,Room Temperature(BD33576)
  • Packing Group:III
  • Hazard Level:3
  • Safety Term:3
  • Packing Group:III
  • Risk Phrases:R10; R36/37/38

1-methyl-3-(trifluoromethyl)benzene 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%

1-methyl-3-(trifluoromethyl)benzene Pricemore >>

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1-methyl-3-(trifluoromethyl)benzene Production Method

1-methyl-3-(trifluoromethyl)benzene Suppliers

Amadis Chemical Company Limited
Gold Member
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(CAS:401-79-6)1-methyl-3-(trifluoromethyl)benzene
Order Number:A6718
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:04
Price ($):324.0
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:401-79-6)3-methylbenzotrifluoride
Order Number:LE7303
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 11:57
Price ($):discuss personally

1-methyl-3-(trifluoromethyl)benzene Related Literature

Additional information on 1-methyl-3-(trifluoromethyl)benzene

1-Methyl-3-(Trifluoromethyl)Benzene: A Comprehensive Overview

1-Methyl-3-(Trifluoromethyl)Benzene, also known by its CAS number 401-79-6, is a highly versatile aromatic compound that has garnered significant attention in both academic and industrial research. This compound, with its unique structure featuring a methyl group and a trifluoromethyl group attached to a benzene ring, exhibits remarkable chemical and physical properties. Recent studies have highlighted its potential applications in various fields, including materials science, pharmaceuticals, and advanced manufacturing processes.

The synthesis of 1-methyl-3-(trifluoromethyl)benzene has been optimized through innovative methodologies, such as Suzuki coupling reactions and directed metallation techniques. These advancements have not only improved the yield but also reduced the environmental footprint of its production. Researchers have demonstrated that the compound's electronic properties can be fine-tuned by modifying substituents on the benzene ring, making it a valuable precursor for functional materials.

In terms of applications, 1-methyl-3-(trifluoromethyl)benzene has shown promise in the development of high-performance polymers and organic semiconductors. Its ability to act as an electron-deficient aromatic system makes it an ideal candidate for use in organic electronics, such as field-effect transistors and light-emitting diodes (LEDs). Recent breakthroughs in this area have been documented in leading journals, emphasizing its role in next-generation electronic devices.

Moreover, 1-methyl-3-(trifluoromethyl)benzene has been explored as a building block for bioactive molecules. Its fluorinated substituent enhances lipophilicity and stability, making it a valuable component in drug design. Studies have shown that derivatives of this compound exhibit potential anti-inflammatory and anticancer activities, paving the way for future therapeutic applications.

From an environmental perspective, researchers have investigated the biodegradation pathways of 1-methyl-3-(trifluoromethyl)benzene to assess its ecological impact. Findings indicate that while the compound is resistant to microbial degradation under standard conditions, advanced oxidation processes can effectively break it down into innocuous byproducts. This knowledge is crucial for developing sustainable industrial practices.

In conclusion, 1-methyl-3-(trifluoromethyl)benzene (CAS No: 401-79-6) stands out as a multifaceted compound with vast potential across diverse industries. Its unique chemical properties, coupled with recent advancements in synthesis and application development, position it as a key player in modern material science and pharmaceutical research. As ongoing studies continue to uncover new possibilities, this compound is poised to make significant contributions to technological innovation and sustainable development.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:401-79-6)1-methyl-3-(trifluoromethyl)benzene
A6718
Purity:99%
Quantity:100g
Price ($):324.0
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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:401-79-6)3-methylbenzotrifluoride
LE7303
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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