Cas no 132915-78-7 (4-(Trifluoromethyl)benzene-1,2-diamine dihydrochloride)
4-(Trifluoromethyl)benzene-1,2-diamine dihydrochloride Chemical and Physical Properties
Names and Identifiers
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- 4-(Trifluoromethyl)benzene-1,2-diamine 2HCl
- 3,4-DiaMinobenzotrifluoride.2HCl
- 4-(Trifluoromethyl)-1,2-benzenediamine dihydrochloride
- 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE DIHYDROCHLORIDE(WS204102)
- MFCD12128976
- AKOS027251337
- 4-(trifluoromethyl)benzene-1,2-diamine;dihydrochloride
- CS-0059774
- 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINEDIHYDROCHLORIDE
- 3,4-Diaminobenzotrifluoride 2HCl
- 4-(trifluoromethyl)benzene-1,2-diamine dihydrochloride
- 1,2-Benzenediamine, 4-(trifluoromethyl)-, hydrochloride (1:2)
- AS-71183
- 132915-78-7
- 4-(Trifluoromethyl)benzene-1,2-diamine dihydrochloride
-
- MDL: MFCD12128976
- Inchi: 1S/C7H7F3N2.2ClH/c8-7(9,10)4-1-2-5(11)6(12)3-4;;/h1-3H,11-12H2;2*1H
- InChI Key: YJBDPLWGMGSBMD-UHFFFAOYSA-N
- SMILES: Cl.Cl.FC(C1C=CC(=C(C=1)N)N)(F)F
Computed Properties
- Exact Mass: 248.0094882g/mol
- Monoisotopic Mass: 248.0094882g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 157
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52?2
4-(Trifluoromethyl)benzene-1,2-diamine dihydrochloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019065024-5g |
4-(Trifluoromethyl)benzene-1,2-diaminedihydrochloride |
132915-78-7 | 95% | 5g |
670.38 USD | 2021-06-17 | |
| eNovation Chemicals LLC | D768127-1g |
1,2-Benzenediamine, 4-(trifluoromethyl)-, hydrochloride (1:2) |
132915-78-7 | 95% | 1g |
$155 | 2024-06-08 | |
| eNovation Chemicals LLC | D768127-5g |
1,2-Benzenediamine, 4-(trifluoromethyl)-, hydrochloride (1:2) |
132915-78-7 | 95% | 5g |
$325 | 2024-06-08 | |
| Aaron | AR001233-100mg |
1,2-Benzenediamine, 4-(trifluoromethyl)-, hydrochloride (1:2) |
132915-78-7 | 95% | 100mg |
$36.00 | 2023-12-16 | |
| Aaron | AR001233-250mg |
1,2-Benzenediamine, 4-(trifluoromethyl)-, hydrochloride (1:2) |
132915-78-7 | 95% | 250mg |
$56.00 | 2023-12-16 | |
| Aaron | AR001233-500mg |
1,2-Benzenediamine, 4-(trifluoromethyl)-, hydrochloride (1:2) |
132915-78-7 | 95% | 500mg |
$75.00 | 2023-12-16 | |
| Aaron | AR001233-1g |
1,2-Benzenediamine, 4-(trifluoromethyl)-, hydrochloride (1:2) |
132915-78-7 | 95% | 1g |
$105.00 | 2023-12-16 | |
| Aaron | AR001233-2g |
1,2-Benzenediamine, 4-(trifluoromethyl)-, hydrochloride (1:2) |
132915-78-7 | 95% | 2g |
$191.00 | 2023-12-16 | |
| Aaron | AR001233-5g |
1,2-Benzenediamine, 4-(trifluoromethyl)-, hydrochloride (1:2) |
132915-78-7 | 95% | 5g |
$303.00 | 2023-12-16 | |
| 1PlusChem | 1P0011UR-5g |
1,2-Benzenediamine, 4-(trifluoromethyl)-, hydrochloride (1:2) |
132915-78-7 | 95% | 5g |
$715.00 | 2025-03-20 |
4-(Trifluoromethyl)benzene-1,2-diamine dihydrochloride Related Literature
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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
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
Additional information on 4-(Trifluoromethyl)benzene-1,2-diamine dihydrochloride
Professional Introduction to 4-(Trifluoromethyl)benzene-1,2-diamine dihydrochloride (CAS No. 132915-78-7)
4-(Trifluoromethyl)benzene-1,2-diamine dihydrochloride is a specialized chemical compound that has garnered significant attention in the field of pharmaceutical and biochemical research. This compound, identified by its CAS number 132915-78-7, is a derivative of benzene with two amino groups and a trifluoromethyl substituent. The unique structural features of this molecule make it a valuable candidate for various applications, particularly in the development of novel therapeutic agents and mechanistic studies.
The presence of the trifluoromethyl group in the molecular structure imparts distinct electronic and steric properties to the compound. This group is known to enhance metabolic stability and binding affinity, making it a popular choice in medicinal chemistry. The two amino groups located at the 1 and 2 positions of the benzene ring further contribute to the compound's reactivity and potential utility in synthetic chemistry.
4-(Trifluoromethyl)benzene-1,2-diamine dihydrochloride has been extensively studied for its potential applications in drug discovery. Recent research has highlighted its role as a key intermediate in the synthesis of bioactive molecules. The diaminobenzene core serves as a versatile scaffold for constructing more complex structures, which can exhibit significant pharmacological activity. For instance, derivatives of this compound have shown promise in inhibiting certain enzymes involved in inflammatory pathways.
In addition to its pharmaceutical applications, this compound has found utility in academic research focused on understanding molecular interactions at the atomic level. The combination of computational modeling and experimental validation has been instrumental in elucidating how 4-(Trifluoromethyl)benzene-1,2-diamine dihydrochloride interacts with biological targets. Such studies are crucial for designing molecules with improved efficacy and reduced side effects.
The dihydrochloride salt form of this compound enhances its solubility in aqueous solutions, making it more amenable for use in biological assays and formulations. This property is particularly advantageous when studying the compound's interactions with proteins and other biomolecules. Researchers have leveraged this solubility to develop novel methods for screening potential drug candidates.
Recent advancements in synthetic methodologies have enabled the efficient preparation of 4-(Trifluoromethyl)benzene-1,2-diamine dihydrochloride, allowing for larger-scale production and more comprehensive investigations. Techniques such as transition metal-catalyzed cross-coupling reactions have been employed to introduce the trifluoromethyl group with high selectivity and yield. These improvements have opened new avenues for exploring the compound's chemical space.
The impact of this compound on modern drug discovery cannot be overstated. Its unique structural features make it a valuable building block for creating novel therapeutic agents targeting various diseases. By modifying different functional groups on the benzene ring, researchers can fine-tune the pharmacological properties of derived compounds. This flexibility has led to several promising candidates entering preclinical development pipelines.
The use of computational tools has further accelerated the discovery process by predicting how different derivatives of 4-(Trifluoromethyl)benzene-1,2-diamine dihydrochloride will behave biologically. Machine learning algorithms have been trained on large datasets to identify patterns that correlate with biological activity, enabling researchers to design more effective molecules faster than traditional methods alone.
In conclusion, 4-(Trifluoromethyl)benzene-1,2-diamine dihydrochloride (CAS No. 132915-78-7) represents a significant advancement in pharmaceutical chemistry. Its unique structural attributes and versatile reactivity make it an indispensable tool for drug development and fundamental research. As scientific understanding continues to evolve, this compound will undoubtedly play an increasingly pivotal role in shaping future therapeutic strategies.
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