Cas no 50594-82-6 (3,4,5-Trichlorobenzotrifluoride)
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
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315,H319
- Warning Statement: P280,P305+P351+P338,P302+P352,P321,P362,P332+P313
- WGK Germany:3
- Hazard Category Code: 36/38
- Safety Instruction: S24/25
-
Hazardous Material Identification:
- Safety Term:S24/25
- Risk Phrases:R36/38
- Storage Condition:Store at room temperature
3,4,5-Trichlorobenzotrifluoride 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%
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 |
3,4,5-Trichlorobenzotrifluoride |
50594-82-6 | 98.0%(GC) | 25g |
¥1150.0 | 2022-09-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | T2281-5g |
3,4,5-Trichlorobenzotrifluoride |
50594-82-6 | 98.0%(GC) | 5g |
¥390.0 | 2022-09-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | T430A-5g |
3,4,5-Trichlorobenzotrifluoride |
50594-82-6 | 97% | 5g |
¥32.0 | 2022-09-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | T430A-25g |
3,4,5-Trichlorobenzotrifluoride |
50594-82-6 | 97% | 25g |
¥62.0 | 2022-09-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | T430A-100g |
3,4,5-Trichlorobenzotrifluoride |
50594-82-6 | 97% | 100g |
¥178.0 | 2022-09-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | T430A-500g |
3,4,5-Trichlorobenzotrifluoride |
50594-82-6 | 97% | 500g |
¥832.0 | 2022-09-28 | |
| Fluorochem | 009350-5g |
3,4,5-Trichlorobenzotrifluoride |
50594-82-6 | 95% | 5g |
£10.00 | 2022-03-01 | |
| Fluorochem | 009350-25g |
3,4,5-Trichlorobenzotrifluoride |
50594-82-6 | 95% | 25g |
£16.00 | 2022-03-01 | |
| Fluorochem | 009350-100g |
3,4,5-Trichlorobenzotrifluoride |
50594-82-6 | 95% | 100g |
£44.00 | 2022-03-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | T101291-25g |
3,4,5-Trichlorobenzotrifluoride |
50594-82-6 | 98% | 25g |
¥40.90 | 2023-09-01 |
3,4,5-Trichlorobenzotrifluoride Suppliers
3,4,5-Trichlorobenzotrifluoride Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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.
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