Cas no 51310-55-5 (3-(Trifluoromethyl)-1H-indole)
3-(Trifluoromethyl)-1H-indole is a fluorinated indole derivative characterized by the presence of a trifluoromethyl group at the 3-position of the indole scaffold. This structural feature enhances its electron-withdrawing properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The compound exhibits improved metabolic stability and lipophilicity compared to non-fluorinated analogs, facilitating its use in the development of bioactive molecules. Its reactivity allows for further functionalization, enabling the construction of diverse heterocyclic systems. The trifluoromethyl group also contributes to enhanced binding affinity in target interactions, particularly in medicinal chemistry applications. Suitable for use under controlled conditions, it requires handling in accordance with standard safety protocols for fluorinated compounds.
3-(Trifluoromethyl)-1H-indole structure
Product Name:3-(Trifluoromethyl)-1H-indole
CAS No:51310-55-5
MF:C9H6F3N
MW:185.145852565765
MDL:MFCD09032290
CID:823769
PubChem ID:13152885
Update Time:2025-06-06
3-(Trifluoromethyl)-1H-indole Chemical and Physical Properties
Names and Identifiers
-
- 3-(Trifluoromethyl)-1H-indole
- 1H-indole, 3-(trifluoromethyl)-
- 3-Trifluoromethyl-1H-indole
- 3-(Fluormethyl)-indol
- 3-(trifluoromethyl)indole
- 3-trifluoromethylindole
- 3-trifluoromethyl-indole
- AC-942
- CTK1G8380
- SureCN2789076
- 3-Trifluoromethyl Indole
- CLSZROKTPWVQKB-UHFFFAOYSA-N
- 7138AB
- AK115654
- 51310-55-5
- DB-000880
- C75404
- AKOS005256049
- MFCD09032290
- DTXSID10522445
- SCHEMBL2789076
- J-513119
- DS-4254
-
- MDL： MFCD09032290
- Inchi： 1S/C9H6F3N/c10-9(11,12)7-5-13-8-4-2-1-3-6(7)8/h1-5,13H
- InChI Key： CLSZROKTPWVQKB-UHFFFAOYSA-N
- SMILES： FC(C1=CNC2C=CC=CC1=2)(F)F
Computed Properties
- Exact Mass: 185.04528
- Monoisotopic Mass: 185.04523368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 190
- 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: 3.1
- Topological Polar Surface Area: 15.8
Experimental Properties
- Boiling Point: 256.7±35.0°C at 760 mmHg
- PSA: 15.79
3-(Trifluoromethyl)-1H-indole Security Information
- Signal Word：Warning
- Hazard Statement： H302-H315-H319-H335
- Warning Statement： P261-P305+P351+P338
- Storage Condition：Sealed in dry,2-8°C
3-(Trifluoromethyl)-1H-indole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A199009670-100mg |
3-(Trifluoromethyl)-1H-indole |
51310-55-5 | 95% | 100mg |
$294.00 | 2023-09-01 | |
| Alichem | A199009670-250mg |
3-(Trifluoromethyl)-1H-indole |
51310-55-5 | 95% | 250mg |
$475.20 | 2023-09-01 | |
| Alichem | A199009670-1g |
3-(Trifluoromethyl)-1H-indole |
51310-55-5 | 95% | 1g |
$1260.00 | 2023-09-01 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T12930-25mg |
3-(Trifluoromethyl)-1H-indole |
51310-55-5 | 95% | 25mg |
￥778.0 | 2023-09-06 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T12930-250mg |
3-(Trifluoromethyl)-1H-indole |
51310-55-5 | 95% | 250mg |
￥1612.0 | 2023-09-06 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T12930-1g |
3-(Trifluoromethyl)-1H-indole |
51310-55-5 | 95% | 1g |
￥4651.0 | 2023-09-06 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T12930-100mg |
3-(Trifluoromethyl)-1H-indole |
51310-55-5 | 95% | 100mg |
￥1001.0 | 2023-09-06 | |
| Matrix Scientific | 204137-0.500g |
3-(Trifluoromethyl)-1H-indole, 95% |
51310-55-5 | 95% | 0.500g |
$595.00 | 2023-09-09 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | T895133-1g |
3-(Trifluoromethyl)-1H-indole |
51310-55-5 | ≥95% | 1g |
11,000.00 | 2021-05-17 | |
| Chemenu | CM146585-1g |
3-(trifluoromethyl)-1H-indole |
51310-55-5 | 95% | 1g |
$1122 | 2021-08-05 |
3-(Trifluoromethyl)-1H-indole Related Literature
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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