Cas no 121180-51-6 (4-(1,2,3-Thiadiazol-4-yl)aniline)
4-(1,2,3-Thiadiazol-4-yl)aniline Chemical and Physical Properties
Names and Identifiers
-
- 4-(1,2,3-Thiadiazol-4-yl)aniline
- 4-(thiadiazol-4-yl)aniline
- Benzenamine,4-(1,2,3-thiadiazol-4-yl)-
- Benzenamine,4-(1,2,3-thiadiazol-4-yl)
- AKOS BB-8737
- BUTTPARK 97\06-33
- 4-(4-AMINOPHENYL)-1,2,3-THIADIAZOLE
- CS-0216584
- SR-01000635096-1
- F2145-0803
- FT-0616438
- J-004455
- D85548
- 4-(1,2,3-thiadiazol-4-yl)aniline, AldrichCPR
- WEA18051
- SCHEMBL118567
- QDRVSMARQRMSOU-UHFFFAOYSA-N
- DTXSID20372296
- [4-(1,2,3-thiadiazol-4-yl)phenyl]amine
- PS-4618
- IDI1_017412
- 3-(4-Chlorophenyl)-1-(3,4-dichlorophenyl)-1-hydroxyurea
- HMS1448B19
- 121180-51-6
- STR05710
- MFCD00052104
- AKOS004117832
- 4-[1,2,3]Thiadiazol-4-yl-phenylamine
- Benzenamine, 4-(1,2,3-thiadiazol-4-yl)-
- Z335450270
- SDCCGMLS-0066238.P001
- EN300-51856
- CCG-45319
- Maybridge3_006025
- AU-004/43500344
- A849466
- STL424560
- BBL034703
- DB-004258
-
- MDL： MFCD00052104
- Inchi： 1S/C8H7N3S/c9-7-3-1-6(2-4-7)8-5-12-11-10-8/h1-5H,9H2
- InChI Key： QDRVSMARQRMSOU-UHFFFAOYSA-N
- SMILES： S1C=C(C2C=CC(=CC=2)N)N=N1
Computed Properties
- Exact Mass: 177.03600
- Monoisotopic Mass: 177.03606841g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 145
- 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: 1.7
- Topological Polar Surface Area: 80?2
Experimental Properties
- Density: 1.333
- Melting Point: 124-126°C
- Boiling Point: 345.2°Cat760mmHg
- Flash Point: 162.6°C
- Refractive Index: 1.669
- PSA: 80.04000
- LogP: 2.36850
4-(1,2,3-Thiadiazol-4-yl)aniline Security Information
- Hazard Statement： Irritant
- Hazard Category Code： 20/21/22-22
- Safety Instruction： S24/25
-
Hazardous Material Identification：
- Safety Term：S24/25
4-(1,2,3-Thiadiazol-4-yl)aniline Customs Data
- HS CODE：2934999090
- Customs Data：
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
4-(1,2,3-Thiadiazol-4-yl)aniline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | T430163-50mg |
4-(1,2,3-Thiadiazol-4-yl)aniline |
121180-51-6 | 50mg |
$ 50.00 | 2022-06-02 | ||
| TRC | T430163-100mg |
4-(1,2,3-Thiadiazol-4-yl)aniline |
121180-51-6 | 100mg |
$ 70.00 | 2022-06-02 | ||
| TRC | T430163-500mg |
4-(1,2,3-Thiadiazol-4-yl)aniline |
121180-51-6 | 500mg |
$ 275.00 | 2022-06-02 | ||
| Apollo Scientific | OR29027-250mg |
4-(1,2,3-Thiadiazol-4-yl)aniline |
121180-51-6 | 250mg |
￡75.00 | 2025-02-19 | ||
| Apollo Scientific | OR29027-1g |
4-(1,2,3-Thiadiazol-4-yl)aniline |
121180-51-6 | 1g |
￡150.00 | 2025-02-19 | ||
| Apollo Scientific | OR29027-5g |
4-(1,2,3-Thiadiazol-4-yl)aniline |
121180-51-6 | 5g |
￡475.00 | 2025-02-19 | ||
| abcr | AB282194-250 mg |
4-(1,2,3-Thiadiazol-4-yl)aniline |
121180-51-6 | 250 mg |
€155.70 | 2023-07-20 | ||
| Chemenu | CM182784-1g |
4-(1,2,3-Thiadiazol-4-yl)aniline |
121180-51-6 | 95% | 1g |
$277 | 2023-11-22 | |
| Alichem | A059007449-1g |
4-(1,2,3-Thiadiazol-4-yl)aniline |
121180-51-6 | 95% | 1g |
$368.28 | 2023-09-04 | |
| Enamine | EN300-51856-0.05g |
4-(1,2,3-thiadiazol-4-yl)aniline |
121180-51-6 | 95.0% | 0.05g |
$19.0 | 2025-03-21 |
4-(1,2,3-Thiadiazol-4-yl)aniline Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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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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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
Additional information on 4-(1,2,3-Thiadiazol-4-yl)aniline
4-(1,2,3-Thiadiazol-4-yl)aniline: A Comprehensive Overview
The compound CAS No. 121180-51-6, commonly referred to as 4-(1,2,3-thiadiazol-4-yl)aniline, is a significant molecule in the field of organic chemistry and materials science. This compound has garnered attention due to its unique structural properties and potential applications in various industries. In this article, we will delve into the details of its structure, synthesis, properties, and recent advancements in its utilization.
4-(1,2,3-thiadiazol-4-yl)aniline is an aromatic heterocyclic compound that combines the thiadiazole ring system with an aniline moiety. The thiadiazole ring, a five-membered ring containing sulfur and two nitrogen atoms, is known for its stability and reactivity in various chemical reactions. The aniline group adds electron-donating properties to the molecule, making it versatile for different applications.
Recent studies have highlighted the importance of thiadiazole derivatives in drug discovery and material science. For instance, researchers have explored the potential of 4-(1,2,3-thiadiazol-4-yl)aniline as a precursor for synthesizing advanced materials such as conductive polymers and metal-organic frameworks (MOFs). These materials are crucial for applications in electronics, catalysis, and energy storage.
The synthesis of CAS No. 121180-51-6 typically involves a multi-step process that includes nucleophilic substitution and condensation reactions. The use of microwave-assisted synthesis has been reported to significantly enhance the reaction efficiency and yield of the compound. This method not only reduces reaction time but also minimizes the formation of by-products.
In terms of physical properties, 4-(1,2,3-thiadiazol-4-yl)aniline exhibits a melting point of approximately 200°C and is soluble in common organic solvents such as dichloromethane and dimethylformamide (DMF). Its UV-vis spectrum shows strong absorption bands in the visible region, indicating potential applications in optoelectronic devices.
Recent advancements in computational chemistry have allowed researchers to predict the electronic properties of CAS No. 121180-51-6. Density functional theory (DFT) calculations reveal that the compound possesses a high electron mobility index, making it suitable for use in thin-film transistors (TFTs). Experimental studies have confirmed these predictions by demonstrating excellent charge transport properties in organic semiconductors.
The biological activity of 4-(1,2,3-thiadiazol-4-yl)aniline has also been explored in recent years. In vitro assays have shown that the compound exhibits moderate anti-inflammatory and antioxidant properties. These findings suggest that it could be a promising candidate for drug development targeting inflammatory diseases.
In conclusion, CAS No. 121180-51-6, or 4-(1,2,3-thiadiazol-4-yl)aniline, is a versatile compound with a wide range of potential applications across multiple disciplines. Its unique structural features and favorable chemical properties make it an attractive target for further research and development.
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