Cas no 36649-94-2 (2,4-Bis-(trifluoromethyl)fluorobenzene)

2,4-Bis-(trifluoromethyl)fluorobenzene is a fluorinated aromatic compound characterized by its two trifluoromethyl groups and a fluorine substituent on the benzene ring. This structure imparts high chemical stability, lipophilicity, and electron-withdrawing properties, making it valuable in pharmaceutical and agrochemical synthesis as an intermediate. Its strong electron-deficient nature facilitates nucleophilic substitution reactions, while the trifluoromethyl groups enhance metabolic resistance in active ingredients. The compound’s low polarizability and thermal stability further suit it for applications in advanced material science, including liquid crystals and specialty polymers. Handling requires standard precautions for fluorinated organics due to potential reactivity under extreme conditions.
2,4-Bis-(trifluoromethyl)fluorobenzene structure
36649-94-2 structure
Product Name:2,4-Bis-(trifluoromethyl)fluorobenzene
CAS No:36649-94-2
MF:C8H3F7
MW:232.09824681282
MDL:MFCD04972681
CID:296411
PubChem ID:20363895
Update Time:2025-06-15

2,4-Bis-(trifluoromethyl)fluorobenzene Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-fluoro-2,4-bis(trifluoromethyl)-
    • 1-fluoro-2,4-bis(trifluoromethyl)benzene
    • 2,4-Bis-(trifluoromethyl)fluorobenzene
    • 1-Fluoro-2,4-bis-trifluoromethyl-benzene
    • 3-trifluoromethyl-4-fluorobenzotrifluoride
    • cis-4-(9H-Fluoren-9-ylmethoxycarbonylamino)-cyclohexanecarboxylicacid
    • FT-0639331
    • SCHEMBL2699647
    • A823324
    • 2,4-bis(trifluoromethyl)fluorobenzene
    • 2,4-DITRIFLUOROMETHYLFLUOROBENZENE
    • 2,4-bis-(trifluoromethyl)-fluorobenzene
    • CS-0316062
    • 36649-94-2
    • DTXSID90606111
    • MFCD04972681
    • MS-20008
    • F21458
    • AKOS005255477
    • STL554166
    • DB-008126
    • BBL100372
    • MDL: MFCD04972681
    • Inchi: 1S/C8H3F7/c9-6-2-1-4(7(10,11)12)3-5(6)8(13,14)15/h1-3H
    • InChI Key: KIVISFSUGQQCCS-UHFFFAOYSA-N
    • SMILES: FC1=CC=C(C(F)(F)F)C=C1C(F)(F)F

Computed Properties

  • Exact Mass: 232.01200
  • Monoisotopic Mass: 232.012
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 216
  • 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
  • Topological Polar Surface Area: 0A^2
  • XLogP3: 3.8

Experimental Properties

  • Density: 1.444
  • Boiling Point: 111.1°Cat760mmHg
  • Flash Point: 22.6°C
  • Refractive Index: 1.368
  • PSA: 0.00000
  • LogP: 3.86330

2,4-Bis-(trifluoromethyl)fluorobenzene Security Information

  • Hazard Statement: Irritant
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26; S36/37/39
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT
  • Risk Phrases:R36/37/38

2,4-Bis-(trifluoromethyl)fluorobenzene 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%

2,4-Bis-(trifluoromethyl)fluorobenzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
032952-250mg
1-Fluoro-2,4-bis-trifluoromethyl-benzene
36649-94-2 95%
250mg
£24.00 2022-03-01
Fluorochem
032952-5g
1-Fluoro-2,4-bis-trifluoromethyl-benzene
36649-94-2 95%
5g
£161.00 2022-03-01
Fluorochem
032952-25g
1-Fluoro-2,4-bis-trifluoromethyl-benzene
36649-94-2 95%
25g
£642.00 2022-03-01
Chemenu
CM329371-5g
1-fluoro-2,4-bis(trifluoromethyl)benzene
36649-94-2 95%+
5g
$736 2021-08-18
SHANG HAI XIAN DING Biotechnology Co., Ltd.
032391-500mg
2,4-Bis-(trifluoromethyl)fluorobenzene
36649-94-2 95%
500mg
600CNY 2021-05-07
abcr
AB279244-1 g
2,4-Bis(trifluoromethyl)fluorobenzene, 96%; .
36649-94-2 96%
1g
€83.00 2023-06-22
abcr
AB279244-5 g
2,4-Bis(trifluoromethyl)fluorobenzene, 96%; .
36649-94-2 96%
5g
€211.00 2023-06-22
abcr
AB279244-10 g
2,4-Bis(trifluoromethyl)fluorobenzene, 96%; .
36649-94-2 96%
10g
€315.00 2023-06-22
Fluorochem
032952-1g
1-Fluoro-2,4-bis-trifluoromethyl-benzene
36649-94-2 95%
1g
£54.00 2022-03-01
SHANG HAI XIAN DING Biotechnology Co., Ltd.
032391-500mg
2,4-Bis-(trifluoromethyl)fluorobenzene
36649-94-2 95%
500mg
600.0CNY 2021-07-13

Additional information on 2,4-Bis-(trifluoromethyl)fluorobenzene

2,4-Bis-(trifluoromethyl)fluorobenzene: A Comprehensive Overview

2,4-Bis-(trifluoromethyl)fluorobenzene (CAS No. 36649-94-2) is a versatile organic compound with significant applications in the fields of chemistry, biology, and pharmaceuticals. This compound is characterized by its unique molecular structure, which includes two trifluoromethyl groups and a fluorine atom attached to a benzene ring. The presence of these functional groups imparts specific chemical and physical properties that make it a valuable intermediate in various synthetic processes.

The chemical formula of 2,4-Bis-(trifluoromethyl)fluorobenzene is C9H5F3, and its molecular weight is 188.13 g/mol. The compound is a colorless liquid at room temperature with a boiling point of approximately 150°C. Its solubility in water is low, but it is highly soluble in organic solvents such as dichloromethane, acetone, and ethyl acetate. These properties make it suitable for use in a wide range of chemical reactions and processes.

In the realm of synthetic chemistry, 2,4-Bis-(trifluoromethyl)fluorobenzene serves as a key building block for the synthesis of various pharmaceuticals and agrochemicals. The trifluoromethyl groups are known to enhance the metabolic stability and lipophilicity of molecules, which are crucial factors in drug design. Recent studies have shown that compounds derived from 2,4-Bis-(trifluoromethyl)fluorobenzene exhibit promising biological activities, including anti-inflammatory, antiviral, and anticancer properties.

A notable example of its application in drug development is the synthesis of novel antiviral agents. Researchers have utilized 2,4-Bis-(trifluoromethyl)fluorobenzene as a starting material to develop compounds that target viral replication mechanisms. These compounds have shown efficacy against a variety of viruses, including influenza and hepatitis C virus (HCV). The trifluoromethyl groups contribute to the high binding affinity and selectivity of these antiviral agents, making them potential candidates for further clinical evaluation.

In addition to its role in pharmaceuticals, 2,4-Bis-(trifluoromethyl)fluorobenzene has found applications in the development of agrochemicals. The compound's unique structure allows it to be used as an intermediate in the synthesis of herbicides and fungicides with improved efficacy and reduced environmental impact. For instance, studies have demonstrated that derivatives of 2,4-Bis-(trifluoromethyl)fluorobenzene can effectively control weeds and fungal pathogens while minimizing toxicity to non-target organisms.

The environmental fate and safety profile of 2,4-Bis-(trifluoromethyl)fluorobenzene are also important considerations. Research has shown that the compound degrades slowly in the environment but does not bioaccumulate significantly in aquatic organisms. This characteristic makes it a relatively safe choice for industrial applications compared to other halogenated compounds. However, proper handling and disposal practices should always be followed to minimize any potential risks.

In conclusion, 2,4-Bis-(trifluoromethyl)fluorobenzene (CAS No. 36649-94-2) is a valuable compound with diverse applications in chemistry, biology, and pharmaceuticals. Its unique molecular structure provides a foundation for the development of novel drugs and agrochemicals with enhanced properties. Ongoing research continues to uncover new possibilities for this versatile compound, further solidifying its importance in modern scientific advancements.

Recommended suppliers
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
煙臺朗裕新材料科技有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent