7-Hydroxy-4-(trifluoromethyl)coumarin
7-Hydroxy-4-(trifluoromethyl)coumarin structure
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Common Name | 7-Hydroxy-4-(trifluoromethyl)coumarin | ||
|---|---|---|---|---|
| CAS Number | 575-03-1 | Molecular Weight | 230.140 | |
| Density | 1.6±0.1 g/cm3 | Boiling Point | 311.4±42.0 °C at 760 mmHg | |
| Molecular Formula | C10H5F3O3 | Melting Point | 178-180 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 142.2±27.9 °C | |
| Symbol |
GHS06 |
Signal Word | Danger | |
Use of 7-Hydroxy-4-(trifluoromethyl)coumarin4-(Trifluoromethyl)umbelliferone is fluorescent probe substrate for rat hepatic cytochrome P450 enzymes[1]. |
Summary: 7-Hydroxy-4-(trifluoromethyl)coumarin (CAS: 575-03-1), with molecular formula C10H5F3O3 and molecular weight 230.140, is a gray-white to light yellow or pink powder. The melting point is 178-180 °C, boiling point is 311.4±42.0 °C, and density is 1.6±0.1 g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 7-Hydroxy-4-(trifluoromethyl)coumarin |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 4-(Trifluoromethyl)umbelliferone is fluorescent probe substrate for rat hepatic cytochrome P450 enzymes[1]. |
|---|---|
| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.6±0.1 g/cm3 |
|---|---|
| Boiling Point | 311.4±42.0 °C at 760 mmHg |
| Melting Point | 178-180 °C(lit.) |
| Molecular Formula | C10H5F3O3 |
| Molecular Weight | 230.140 |
| Flash Point | 142.2±27.9 °C |
| Exact Mass | 230.019073 |
| PSA | 50.44000 |
| LogP | 2.88 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.546 |
| InChIKey | CCKWMCUOHJAVOL-UHFFFAOYSA-N |
| SMILES | O=c1cc(C(F)(F)F)c2ccc(O)cc2o1 |
| Water Solubility | DMF: 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 |
GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H300-H315-H319-H335 |
| Precautionary Statements | P261-P264-P301 + P310-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges |
| Hazard Codes | T:Toxic; |
| Risk Phrases | R25;R36/37/38 |
| Safety Phrases | S26-S36-S45 |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| HS Code | 2932209090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~99%
7-Hydroxy-4-(tr... CAS#:575-03-1 |
| Literature: Wu, Jie; Diao, Tianning; Sun, Wei; Li, Yizhe Synthetic Communications, 2006 , vol. 36, # 20 p. 2949 - 2956 |
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~%
7-Hydroxy-4-(tr... CAS#:575-03-1 |
| Literature: Bulletin of the Chemical Society of Ethiopia, , vol. 24, # 2 p. 305 - 310 |
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~%
7-Hydroxy-4-(tr... CAS#:575-03-1 |
| Literature: Xenobiotica, , vol. 30, # 10 p. 955 - 969 |
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~%
7-Hydroxy-4-(tr... CAS#:575-03-1 |
| Literature: Acta Pharmacologica Sinica, , vol. 34, # 11 p. 1437 - 1448 |
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~%
7-Hydroxy-4-(tr... CAS#:575-03-1
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| Literature: Angewandte Chemie - International Edition, , vol. 51, # 37 p. 9344 - 9347 Angew. Chem., , vol. 124, # 37 p. 9478 - 9481,5 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 3 | |
CAS#:195210-09-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2932209090 |
|---|---|
| Summary | 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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HepG2 cells as an in vitro model for evaluation of cytochrome P450 induction by xenobiotics.
Arch. Pharm. Res. 38 , 691-704, (2015) Although various in vitro assays have been developed to evaluate the cytochrome P450 (CYP)-inducing potential of drug candidates, there is a continuing need for the development of a reliable model in ... |
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BFCOD activity in fish cell lines and zebrafish embryos and its modulation by chemical ligands of human aryl hydrocarbon and nuclear receptors.
Environ. Sci. Pollut. Res. Int. 22 , 16393-404, (2015) Assessment of exposure and effect of fish to pharmaceuticals that contaminate aquatic environment is a current major issue in ecotoxicology and there is a need to develop specific biological marker to... |
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Environmentally persistent free radical-containing particulate matter competitively inhibits metabolism by cytochrome P450 1A2.
Toxicol. Appl. Pharmacol. 289 , 223-30, (2015) Combustion processes generate different types of particulate matter (PM) that can have deleterious effects on the pulmonary and cardiovascular systems. Environmentally persistent free radicals (EPFRs)... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Binding affinity to corpus collosum myelin in central nervous system of mouse at 100 ...
Source: ChEMBL
Target: Myelin basic protein
External Id: CHEMBL1767433
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Name: Stability in human hepatocytes after 120 mins by HPLC-MS/MS analysis
Source: ChEMBL
Target: N/A
External Id: CHEMBL4027467
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Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
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Name: Anticancer activity against human SK-MEL3 cells assessed as reduction in cell viabili...
Source: ChEMBL
Target: SK-MEL3
External Id: CHEMBL5260358
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Name: Cytotoxicity against human C3PV cells assessed as reduction in cell viability incubat...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5260357
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Name: Selectivity index, ratio of IC50 for cytotoxicity against human C3PV cells to IC50 fo...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5260360
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Name: Anticancer activity against human SK-MEL-28 cells assessed as reduction in cell viabi...
Source: ChEMBL
Target: SK-MEL-28
External Id: CHEMBL5260359
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Name: Inhibition of human 17beta-HSD3 expressed in HeLa cells
Source: ChEMBL
Target: 17-beta-hydroxysteroid dehydrogenase type 3
External Id: CHEMBL1068436
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 7-Hydroxy-4-(trifluoromethyl)-2H-1-benzopyran-2-one |
| 7-Hydroxy-4-(trifluoromethyl)-2H-chromen-2-one |
| 7-hydroxy-4-(trifluoromethyl)chromen-2-one |
| MFCD00037578 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 7-Hydroxy-4-(trifluoromethyl)coumarin? |
| A: LogP of 7-Hydroxy-4-(trifluoromethyl)coumarin is 2.88. |
| Q: What are the downstream products of 7-Hydroxy-4-(trifluoromethyl)coumarin? |
| A: Related downstream products(CAS) of 7-Hydroxy-4-(trifluoromethyl)coumarin: 220001-53-6;195210-09-4;575-04-2. |
| Q: What is the molecular weight of 7-Hydroxy-4-(trifluoromethyl)coumarin? |
| A: Molecular weight of 7-Hydroxy-4-(trifluoromethyl)coumarin is 230.140. |
| Q: What is the CAS number of 7-Hydroxy-4-(trifluoromethyl)coumarin? |
| A: CAS number of 7-Hydroxy-4-(trifluoromethyl)coumarin is 575-03-1. |
| Q: What is the InChIKey of 7-Hydroxy-4-(trifluoromethyl)coumarin? |
| A: InChIKey of 7-Hydroxy-4-(trifluoromethyl)coumarin is CCKWMCUOHJAVOL-UHFFFAOYSA-N. |
| Q: What is the boiling point of 7-Hydroxy-4-(trifluoromethyl)coumarin? |
| A: Boiling point of 7-Hydroxy-4-(trifluoromethyl)coumarin is 311.4±42.0 °C at 760 mmHg. |
| Q: What is the polar surface area (PSA) of 7-Hydroxy-4-(trifluoromethyl)coumarin? |
| A: Polar surface area (PSA) of 7-Hydroxy-4-(trifluoromethyl)coumarin is 50.44000. |
| Q: What is the English name of 7-Hydroxy-4-(trifluoromethyl)coumarin? |
| A: The English name of 7-Hydroxy-4-(trifluoromethyl)coumarin is 7-Hydroxy-4-(trifluoromethyl)coumarin. |
| Q: What is the SMILES notation of 7-Hydroxy-4-(trifluoromethyl)coumarin? |
| A: SMILES notation of 7-Hydroxy-4-(trifluoromethyl)coumarin is O=c1cc(C(F)(F)F)c2ccc(O)cc2o1. |
| Q: What English synonyms does 7-Hydroxy-4-(trifluoromethyl)coumarin have? |
| A: English synonyms of 7-Hydroxy-4-(trifluoromethyl)coumarin: 7-Hydroxy-4-(trifluoromethyl)-2H-1-benzopyran-2-one, 7-Hydroxy-4-(trifluoromethyl)-2H-chromen-2-one, 7-hydroxy-4-(trifluoromethyl)chromen-2-one, MFCD00037578. |
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. |