Cas no 401-79-6 (1-methyl-3-(trifluoromethyl)benzene)
1-methyl-3-(trifluoromethyl)benzene Chemical and Physical Properties
Names and Identifiers
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- 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
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- 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:
- 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:
- 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:
2903999090Overview:
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 >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M120689-5g |
1-methyl-3-(trifluoromethyl)benzene |
401-79-6 | 98% | 5g |
¥99.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M120689-25g |
1-methyl-3-(trifluoromethyl)benzene |
401-79-6 | 98% | 25g |
¥399.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M120689-1g |
1-methyl-3-(trifluoromethyl)benzene |
401-79-6 | 98% | 1g |
¥29.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M120689-100g |
1-methyl-3-(trifluoromethyl)benzene |
401-79-6 | 98% | 100g |
¥1259.90 | 2023-09-02 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R007721-1g |
1-methyl-3-(trifluoromethyl)benzene |
401-79-6 | 98% | 1g |
¥36 | 2024-05-23 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R007721-5g |
1-methyl-3-(trifluoromethyl)benzene |
401-79-6 | 98% | 5g |
¥91 | 2024-05-23 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A-DO852-5g |
1-methyl-3-(trifluoromethyl)benzene |
401-79-6 | 98% | 5g |
253.0CNY | 2021-08-04 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A-DO852-1g |
1-methyl-3-(trifluoromethyl)benzene |
401-79-6 | 98% | 1g |
76.0CNY | 2021-08-04 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 470384-5G |
1-methyl-3-(trifluoromethyl)benzene |
401-79-6 | 98% | 5G |
¥935.62 | 2022-02-24 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | M40580-25g |
1-Methyl-3-(trifluoromethyl)benzene |
401-79-6 | 25g |
¥316.0 | 2021-09-08 |
1-methyl-3-(trifluoromethyl)benzene Suppliers
1-methyl-3-(trifluoromethyl)benzene Related Literature
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Katharina Neufeld,Jan Marienhagen,Ulrich Schwaneberg,J?rg Pietruszka Green Chem. 2013 15 2408
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2. Preparation and molecular structure of bridged tetra-aza macrocyclic ligandsNathaniel W. Alcock,Peter Moore,K. F. Mok J. Chem. Soc. Perkin Trans. 2 1980 1186
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3. Design of inclusion compounds: systematic structural modification of the hexa-host molecule hexakis(benzylthiomethyl)benzeneAndrew D. U. Hardy,David D. MacNicol,Stephen Swanson,Derek R. Wilson J. Chem. Soc. Perkin Trans. 2 1980 999
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4. Reactions of trifluoromethyl bromide and related halides: part 10. Perfluoroalkylation of aromatic compounds induced by sulphur dioxide radical anion precursorsMarc Tordeux,Bernard Langlois,Claude Wakselman J. Chem. Soc. Perkin Trans. 1 1990 2293
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.
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