Cas no 1093659-81-4 (4-Fluoroaniline-2,3,5,6-d4)
4-Fluoroaniline-2,3,5,6-d4 is a deuterated analog of 4-fluoroaniline, where four hydrogen atoms at the 2, 3, 5, and 6 positions are replaced with deuterium. This isotopic labeling enhances the compound's utility in NMR spectroscopy and mass spectrometry, providing improved signal resolution and reduced background interference. Its high isotopic purity (>98%) ensures reliable performance in mechanistic studies, metabolic research, and tracer applications. The deuterium substitution also increases molecular stability, making it valuable for investigating reaction pathways and degradation kinetics. This compound is particularly useful in pharmaceutical and agrochemical research, where precise tracking of molecular behavior is essential.
4-Fluoroaniline-2,3,5,6-d4 structure
Product Name:4-Fluoroaniline-2,3,5,6-d4
CAS No:1093659-81-4
MF:C6H6FN
MW:115.14159154892
CID:1066239
PubChem ID:57608685
Update Time:2025-06-08
4-Fluoroaniline-2,3,5,6-d4 Chemical and Physical Properties
Names and Identifiers
-
- 4-Fluoroaniline-2,3,5,6-d4
- N,N,2,3-tetradeuterio-4-fluoroaniline
- D98648
- SCHEMBL8787859
- 2,3,5,6-tetradeuterio-4-fluoro-aniline
- 4-Fluoroaminobenzene-2,3,5,6-d4
- DB-295283
- 1093659-81-4
- 4-Fluoroaniline--d4
-
- Inchi： 1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2/i1D,3D/hD2
- InChI Key： KRZCOLNOCZKSDF-CWYMZFTFSA-N
- SMILES： FC1C=CC(=C([2H])C=1[2H])N([2H])[2H]
Computed Properties
- Exact Mass: 115.073534341 g/mol
- Monoisotopic Mass: 115.073534341 g/mol
- Isotope Atom Count: 4
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 66.9
- 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
- Molecular Weight: 115.14
- XLogP3: 1.1
- Topological Polar Surface Area: 26
4-Fluoroaniline-2,3,5,6-d4 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | F587652-10mg |
4-Fluoroaniline-2,3,5,6-d4 |
1093659-81-4 | 10mg |
$ 150.00 | 2023-09-07 | ||
| TRC | F587652-25mg |
4-Fluoroaniline-2,3,5,6-d4 |
1093659-81-4 | 25mg |
$236.00 | 2023-05-18 | ||
| TRC | F587652-50mg |
4-Fluoroaniline-2,3,5,6-d4 |
1093659-81-4 | 50mg |
$437.00 | 2023-05-18 | ||
| TRC | F587652-100mg |
4-Fluoroaniline-2,3,5,6-d4 |
1093659-81-4 | 100mg |
$735.00 | 2023-05-18 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | F890088-5mg |
4-Fluoroaminobenzene-2,3,5,6-d4 |
1093659-81-4 | 95% | 5mg |
￥1,056.00 | 2022-01-13 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | F890088-25mg |
4-Fluoroaminobenzene-2,3,5,6-d4 |
1093659-81-4 | 95% | 25mg |
￥3,456.00 | 2022-01-13 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1720100-5mg |
p-?Fluorophenylamine-d4 |
1093659-81-4 | 98% | 5mg |
￥1204.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1720100-25mg |
p-?Fluorophenylamine-d4 |
1093659-81-4 | 98% | 25mg |
￥3376.00 | 2024-08-09 |
4-Fluoroaniline-2,3,5,6-d4 Related Literature
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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