1,1,1-Trifluoroacetylacetone
1,1,1-Trifluoroacetylacetone structure
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Common Name | 1,1,1-Trifluoroacetylacetone | ||
|---|---|---|---|---|
| CAS Number | 367-57-7 | Molecular Weight | 154.087 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 106.0±0.0 °C at 760 mmHg | |
| Molecular Formula | C5H5F3O2 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 26.1±0.0 °C | |
| Symbol |
GHS02, GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1,1,1-Trifluoro-2,4-pentanedione |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 106.0±0.0 °C at 760 mmHg |
| Molecular Formula | C5H5F3O2 |
| Molecular Weight | 154.087 |
| Flash Point | 26.1±0.0 °C |
| Exact Mass | 154.024170 |
| PSA | 34.14000 |
| LogP | 2.09 |
| Vapour Pressure | 28.8±0.2 mmHg at 25°C |
| Index of Refraction | 1.343 |
| InChIKey | SHXHPUAKLCCLDV-UHFFFAOYSA-N |
| SMILES | CC(=O)CC(=O)C(F)(F)F |
| Storage condition | Flammables area |
| Water Solubility | slightly soluble |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS02, GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H226-H302 + H312 + H332 |
| Precautionary Statements | P280 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R10;R20/21/22;R36/37/38 |
| Safety Phrases | S36/37-S36/37/39-S26-S16 |
| RIDADR | UN 1224 3/PG 3 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 3 |
| HS Code | 29147090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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1,1,1-Trifluoro... CAS#:367-57-7 |
| Literature: Martins, Marcos A. P.; Marzari, Mara R. B.; Frizzo, Clarissa P.; Zanatta, Marcileia; Buriol, Lilian; Andrade, Valquiria P.; Zanatta, Nilo; Bonacorso, Helio G. European Journal of Organic Chemistry, 2012 , # 36 p. 7112 - 7119 |
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1,1,1-Trifluoro... CAS#:367-57-7 |
| Literature: Ye, Wei-Ping; Mu, Hong-Liang; Shi, Xin-Cui; Cheng, Yan-Xiang; Li, Yue-Sheng Dalton Transactions, 2009 , # 43 p. 9452 - 9465 |
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1,1,1-Trifluoro... CAS#:367-57-7 |
| Literature: Bazhenova, L. N.; Filyakova, V. I.; Kirichenko, V. E.; Pashkevich, K. I. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1991 , vol. 40, # 3.2 p. 581 - 585 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1991 , # 3 p. 664 - 669 |
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1,1,1-Trifluoro... CAS#:367-57-7 |
| Literature: Bazhenova, L. N.; Filyakova, V. I.; Kirichenko, V. E.; Pashkevich, K. I. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1991 , vol. 40, # 3.2 p. 581 - 585 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1991 , # 3 p. 664 - 669 |
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1,1,1-Trifluoro... CAS#:367-57-7 |
| Literature: Hynes, Michael J.; Mooney, Marie T.; Moloney, Ann Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999), 1993 , # 2 p. 313 - 318 |
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1,1,1-Trifluoro... CAS#:367-57-7
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| Literature: Nesmeyanov, N. A.; Kharitonov, V. G.; Berman, S. T.; Reutov, O. A. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1984 , vol. 33, p. 650 - 652 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1984 , # 3 p. 700 - 702 |
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1,1,1-Trifluoro... CAS#:367-57-7
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| Literature: Wladkowski, Brian D.; Wilbur, James L.; Zhong, Meili; Brauman, John I. Journal of the American Chemical Society, 1993 , vol. 115, # 19 p. 8833 - 8834 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 9 | |
CAS#:142071-90-7
CAS#:451459-17-9
CAS#:218632-10-1
CAS#:218631-48-2![7-[[(4-FLUOROPHENYL)METHYL]AMINO]-8-METHYLNONAN-1-OICACID structure](https://image.chemsrc.com/caspic/117/218631-47-1.png)
CAS#:218631-47-1
CAS#:209917-93-1
CAS#:182127-92-0This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914700090 |
|---|---|
| Summary | HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Inhibition by diacylmethane derivatives of mutagenicity in Salmonella typhimurium and tRNA-binding of chemical carcinogens.
Mutat. Res. 262(3) , 189-93, (1991) Effects of diacylmethanes on the mutagenicity of 2-naphthohydroxamic acid, methylnitrosourea, benzo[a]pyrene and aflatoxin B1 in S. typhimurium and the tRNA binding by benzo[a]pyrene and aflatoxin B1 ... |
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Inhibition by diacylmethane derivatives of mutagenicity and nucleic acid binding of 2-aminofluorene derivatives.
J. Natl. Cancer Inst. 81(22) , 1743-7, (1989) The active methylene compounds acetylacetone, 1,1,1-trifluoroacetylacetone, benzoylacetone, dibenzoylmethane, and 1,3-indandione inhibited the mutagenicity of 2-nitrofluorene in Salmonella typhimurium... |
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Synthesis and anticancer activity evaluation of new 2-alkylcarbonyl and 2-benzoyl-3-trifluoromethyl-quinoxaline 1,4-di-N-oxide derivatives.
Bioorg. Med. Chem. 12(13) , 3711-21, (2004) As a continuation of our research in quinoxaline 1,4-di-N-oxide and with the aim of obtaining new anticancer agents, which can improve the current chemotherapeutic treatments, new series of 2-alkylcar... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: In vitro cytotoxic activity against human salivary gland tumor (HSG) cells.
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL695228
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Name: In vitro cytotoxic activity against human gingival fibroblasts (HGF).
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL690261
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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Name: In vitro cytotoxic activity against human squamous cell carcinoma (HSC-2) cells.
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL695064
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| FXFFV1V1 |
| α,α,α-Trifluoroacetylacetone |
| 1,1,1-Trifluoroacetylacetone |
| 1,1,1-trifluoropentane-2,4-dione |
| MFCD00000427 |
| (Trifluoroacetyl)acetone |
| 1,1,1-Trifluoro-2,4-pentanedione |
| Trifluoroacetylacetone |
| Palladium(II)trifluoro-2,4-pentanedionate |
| EINECS 206-698-5 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the storage conditions for 1,1,1-Trifluoro-2,4-pentanedione? |
| A: Storage conditions for 1,1,1-Trifluoro-2,4-pentanedione: Flammables area. |
| Q: What are the downstream products of 1,1,1-Trifluoro-2,4-pentanedione? |
| A: Related downstream products(CAS) of 1,1,1-Trifluoro-2,4-pentanedione: 142071-90-7;383-63-1;67-64-1;451459-17-9;218632-10-1;218631-48-2;218631-47-1;209917-93-1;182127-92-0. |
| Q: What is the English name of 1,1,1-Trifluoro-2,4-pentanedione? |
| A: The English name of 1,1,1-Trifluoro-2,4-pentanedione is 1,1,1-Trifluoro-2,4-pentanedione. |
| Q: What is the InChIKey of 1,1,1-Trifluoro-2,4-pentanedione? |
| A: InChIKey of 1,1,1-Trifluoro-2,4-pentanedione is SHXHPUAKLCCLDV-UHFFFAOYSA-N. |
| Q: What are the upstream materials of 1,1,1-Trifluoro-2,4-pentanedione? |
| A: Related upstream materials(CAS) of 1,1,1-Trifluoro-2,4-pentanedione: 135351-20-1;383-63-1;67-64-1;91529-27-0;354-32-5;24262-31-5. |
| Q: What is the LogP of 1,1,1-Trifluoro-2,4-pentanedione? |
| A: LogP of 1,1,1-Trifluoro-2,4-pentanedione is 2.09. |
| Q: What is the boiling point of 1,1,1-Trifluoro-2,4-pentanedione? |
| A: Boiling point of 1,1,1-Trifluoro-2,4-pentanedione is 106.0±0.0 °C at 760 mmHg. |
| Q: What is the SMILES notation of 1,1,1-Trifluoro-2,4-pentanedione? |
| A: SMILES notation of 1,1,1-Trifluoro-2,4-pentanedione is CC(=O)CC(=O)C(F)(F)F. |
| Q: What is the molecular weight of 1,1,1-Trifluoro-2,4-pentanedione? |
| A: Molecular weight of 1,1,1-Trifluoro-2,4-pentanedione is 154.087. |
| Q: What is the safety information for 1,1,1-Trifluoro-2,4-pentanedione? |
| A: Safety information for 1,1,1-Trifluoro-2,4-pentanedione: S36/37-S36/37/39-S26-S16. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Zhongshan Xingrui Chemical Co. , Ltd. |
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- Shanghai Nianxing Industrial Co., Ltd
- China
- Product Name: 1,1,1-Trifluoroacetylacetone
- Price: Check
- Purity: 98.0%
- Delivery: 10 Day
- Contact: Yang
- Email: sales@echemcloud.com
- Dayang Chem (Hangzhou) Co., Ltd.
- China
- Product Name: 1,1,1-Trifluoro-2,4-pentanedione
- Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
- Purity: 98.0%
- Delivery: Inquiry
- Contact: Ms Wang
- Email: enquiry@dycnchem.com
- Zhongshan Xingrui Chemical Co. , Ltd.
- China
- Product Name: 1,1,1-Trifluoroacetylacetone
- Price: ￥Inquiry/25kg
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Wang Jie
- Email: 3096638339@qq.com
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