Cas no 399-06-4 (4,4,4-Trifluoro-1-(pyridin-4-yl)butane-1,3-dione)
4,4,4-Trifluoro-1-(pyridin-4-yl)butane-1,3-dione is a fluorinated β-diketone derivative featuring a pyridinyl substituent, which enhances its utility as a versatile building block in organic synthesis. The trifluoromethyl group confers electron-withdrawing properties, improving reactivity in coordination chemistry and metal-chelating applications. Its rigid pyridine moiety facilitates the formation of stable complexes with transition metals, making it valuable for catalytic and material science research. The compound’s high purity and well-defined structure ensure reproducibility in synthetic pathways. Its thermal and chemical stability further supports its use in demanding reactions, such as cross-coupling or heterocycle formation. This compound is particularly suited for advanced pharmaceutical and agrochemical intermediates.
399-06-4 structure
Product Name:4,4,4-Trifluoro-1-(pyridin-4-yl)butane-1,3-dione
CAS No:399-06-4
MF:C9H6F3NO2
MW:217.144652843475
MDL:MFCD01566518
CID:37226
PubChem ID:238298
Update Time:2025-05-20
4,4,4-Trifluoro-1-(pyridin-4-yl)butane-1,3-dione Chemical and Physical Properties
Names and Identifiers
-
- 4,4,4-Trifluoro-1-(pyridine-4-yl)butane-1,3-dione
- 4,4,4-trifluoro-1-pyridin-4-ylbutane-1,3-dione
- 1,3-Butanedione,4,4,4-trifluoro-1-(4-pyridyl)
- 1-pyridin-4-yl-4,4,4-trifluoro-butane-1,3-dione
- 4,4
- 4,4,4-Trifluor-1-[4]pyridyl-butan-1,3-dion
- 4,4,4-trifluoro-1-(4-pyridyl)-1,3-butanedione
- 4,4,4-trifluoro-1-(pyridin-4-yl)-1,3-butanedione
- 4,4,4-Trifluoro-1-(pyridine-4-yl)-1,3-butanedione
- 4,4,4-trifluoro-1-[4]pyridyl-butane-1,3-dione
- 4-nicotinyltrifluoroacetone
- 4-trifluoroacetoacetylpyridine
- 1,3-Butanedione,4,4,4-trifluoro-1-(4-pyridyl)- (7CI,8CI)
- NSC 42618
- NSC42618
- EN300-01274
- CS-0218536
- MFCD01566518
- 4,4,4-trifluoro-1-(4-pyridyl)butane-1,3-dione
- A824801
- AKOS000122299
- 399-06-4
- DTXSID40285677
- 4,4,4-Trifluoro-1-(4-pyridinyl)-1,3-butanedione #
- Z119988672
- 4,4,4-trifluoro-1-(4-pyridyl)butane-1,3-dione;4,4,4-Trifluoro-1-(pyridin-4-yl)butane-1,3-dione
- 4,4,4-Trifluoro-1-(pyridin-4-yl)butane-1,3-dione
- 1,3-Butanedione, 4,4,4-trifluoro-1-(4-pyridyl)-
- SCHEMBL1924749
- (2E)-4,4,4-Trifluoro-3-hydroxy-1-(4-pyridinyl)-2-buten-1-one, AldrichCPR
- FS-5174
- NSC-42618
- 1,3-Butanedione, 4,4,4-trifluoro-1-(4-pyridinyl)
- 4,4,4-trifluoro-1-pyridin-4-ylbutane-1,3-dione;4,4,4-Trifluoro-1-pyridin-4-yl-butane-1,3-dione;4,4,4-Trifluoro-1-(pyridin-4-yl)butane-1,3-dione;4,4,4-Trifluoro-1-(pyridine-4-yl)-1,3-butanedione
- G86833
- DTXCID60236828
- STL556452
- BBL102648
-
- MDL： MFCD01566518
- Inchi： 1S/C9H6F3NO2/c10-9(11,12)8(15)5-7(14)6-1-3-13-4-2-6/h1-4H,5H2
- InChI Key： VVFWWIMDNOGGLM-UHFFFAOYSA-N
- SMILES： FC(C(CC(C1C=CN=CC=1)=O)=O)(F)F
Computed Properties
- Exact Mass: 217.03500
- Monoisotopic Mass: 217.035
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 257
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 1.5
- Topological Polar Surface Area: 47A^2
Experimental Properties
- Density: 1.351
- Melting Point: 213-214°C
- Boiling Point: 269.5°Cat760mmHg
- Flash Point: 116.8°C
- Refractive Index: 1.501
- PSA: 47.03000
- LogP: 1.78580
4,4,4-Trifluoro-1-(pyridin-4-yl)butane-1,3-dione Customs Data
- HS CODE：2933399090
- Customs Data：
China Customs Code:
2933399090Overview:
2933399090. Other compounds with non fused pyridine rings in structure. 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, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
4,4,4-Trifluoro-1-(pyridin-4-yl)butane-1,3-dione Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 033155-1g |
4,4,4-Trifluoro-1-(pyridine-4-yl)-1,3-butanedione |
399-06-4 | 95% | 1g |
￡35.00 | 2022-02-28 | |
| Fluorochem | 033155-5g |
4,4,4-Trifluoro-1-(pyridine-4-yl)-1,3-butanedione |
399-06-4 | 95% | 5g |
￡110.00 | 2022-02-28 | |
| Chemenu | CM171315-25g |
4,4,4-Trifluoro-1-(pyridine-4-yl)butane-1,3-dione |
399-06-4 | 95%+ | 25g |
$531 | 2021-08-05 | |
| Matrix Scientific | 128459-1g |
4,4,4-Trifluoro-1-(pyridine-4-yl)butane-1,3-dione, 97% |
399-06-4 | 97% | 1g |
$366.00 | 2023-09-07 | |
| TRC | T791058-25mg |
4,4,4-Trifluoro-1-(pyridin-4-yl)butane-1,3-dione |
399-06-4 | 25mg |
$ 50.00 | 2022-06-02 | ||
| TRC | T791058-50mg |
4,4,4-Trifluoro-1-(pyridin-4-yl)butane-1,3-dione |
399-06-4 | 50mg |
$ 65.00 | 2022-06-02 | ||
| TRC | T791058-250mg |
4,4,4-Trifluoro-1-(pyridin-4-yl)butane-1,3-dione |
399-06-4 | 250mg |
$ 95.00 | 2022-06-02 | ||
| Apollo Scientific | PC520516-1g |
4,4,4-Trifluoro-1-(4-pyridyl)butane-1,3-dione |
399-06-4 | 95% | 1g |
￡80.00 | 2023-09-01 | |
| Apollo Scientific | PC520516-5g |
4,4,4-Trifluoro-1-(4-pyridyl)butane-1,3-dione |
399-06-4 | 95% | 5g |
￡216.00 | 2023-09-01 | |
| abcr | AB546645-1 g |
4,4,4-Trifluoro-1-(4-pyridyl)butane-1,3-dione, 95%; . |
399-06-4 | 95% | 1g |
€133.30 | 2023-04-13 |
4,4,4-Trifluoro-1-(pyridin-4-yl)butane-1,3-dione Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
399-06-4 (4,4,4-Trifluoro-1-(pyridin-4-yl)butane-1,3-dione) Related Products
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