Cas no 504404-35-7 (3,4,5-trifluorobenzene-1-carboximidamide)
3,4,5-Trifluorobenzene-1-carboximidamide is a fluorinated aromatic compound featuring a carboximidamide functional group at the 1-position of a benzene ring substituted with three fluorine atoms at the 3, 4, and 5 positions. This structure imparts unique electronic and steric properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The trifluoromethyl substitution enhances lipophilicity and metabolic stability, while the carboximidamide group serves as a versatile precursor for heterocyclic transformations, such as the synthesis of triazines and imidazoles. Its high purity and well-defined reactivity profile facilitate precise modifications in medicinal chemistry applications, particularly in the development of bioactive molecules targeting enzyme inhibition or receptor modulation. The compound's stability under various reaction conditions further underscores its utility in multistep synthetic routes.
504404-35-7 structure
Product Name:3,4,5-trifluorobenzene-1-carboximidamide
CAS No:504404-35-7
MF:C7H5F3N2
MW:174.123211622238
MDL:MFCD05663401
CID:892007
PubChem ID:4461119
Update Time:2025-07-02
3,4,5-trifluorobenzene-1-carboximidamide Chemical and Physical Properties
Names and Identifiers
-
- 3,4,5-TRIFLUORO-BENZAMIDINE
- 3,4,5‐TRIFLUORO‐BENZAMIDINE
- 3,4,5-trifluorobenzenecarboximidamide
- 3,4,5-Trifluorobenzimidamide
- 3,4,5-trifluorobenzene-1-carboximidamide
- DTXSID30403525
- 504404-35-7
- DB-261898
- SB37396
- CS-0453138
- SCHEMBL12634680
- STL244991
- MFCD05663401
- AKOS010915823
- BBL030365
- EN300-1868132
-
- MDL： MFCD05663401
- Inchi： 1S/C7H5F3N2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H3,11,12)
- InChI Key： RNEUKMKQVDEIAF-UHFFFAOYSA-N
- SMILES： FC1C(=C(C=C(C(=N)N)C=1)F)F
Computed Properties
- Exact Mass: 174.04000
- Monoisotopic Mass: 174.04048265g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 174
- 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
- XLogP3: 1.2
- Topological Polar Surface Area: 49.9?2
Experimental Properties
- PSA: 49.87000
- LogP: 2.18800
3,4,5-trifluorobenzene-1-carboximidamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 12R0070-1g |
3,4,5-Trifluoro-benzamidine |
504404-35-7 | 98% | 1g |
8463.46CNY | 2021-05-07 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 12R0070-5g |
3,4,5-Trifluoro-benzamidine |
504404-35-7 | 98% | 5g |
33904.74CNY | 2021-05-07 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 12R0070-500mg |
3,4,5-Trifluoro-benzamidine |
504404-35-7 | 98% | 500mg |
4655.75CNY | 2021-05-07 | |
| Alichem | A019143169-1g |
3,4,5-Trifluorobenzimidamide |
504404-35-7 | 95% | 1g |
$426.22 | 2023-09-01 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1523805-500mg |
3,4,5-Trifluorobenzimidamide |
504404-35-7 | 98% | 500mg |
￥5586.00 | 2024-05-11 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1523805-1g |
3,4,5-Trifluorobenzimidamide |
504404-35-7 | 98% | 1g |
￥10155.00 | 2024-05-11 | |
| Enamine | EN300-1868132-0.05g |
3,4,5-trifluorobenzene-1-carboximidamide |
504404-35-7 | 0.05g |
$348.0 | 2023-09-18 | ||
| Enamine | EN300-1868132-0.1g |
3,4,5-trifluorobenzene-1-carboximidamide |
504404-35-7 | 0.1g |
$364.0 | 2023-09-18 | ||
| Enamine | EN300-1868132-0.25g |
3,4,5-trifluorobenzene-1-carboximidamide |
504404-35-7 | 0.25g |
$381.0 | 2023-09-18 | ||
| Enamine | EN300-1868132-0.5g |
3,4,5-trifluorobenzene-1-carboximidamide |
504404-35-7 | 0.5g |
$397.0 | 2023-09-18 |
3,4,5-trifluorobenzene-1-carboximidamide Related Literature
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
504404-35-7 (3,4,5-trifluorobenzene-1-carboximidamide) Related Products
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