ethyl 2-(4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate
ethyl 2-(4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate structure
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Common Name | ethyl 2-(4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate | ||
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| CAS Number | 345237-74-3 | Molecular Weight | 270.63600 | |
| Density | 1.42g/cm3 | Boiling Point | 298.9ºC at 760 mmHg | |
| Molecular Formula | C9H10ClF3N2O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 134.6ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Ethyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate |
|---|---|
| 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 | 1.42g/cm3 |
|---|---|
| Boiling Point | 298.9ºC at 760 mmHg |
| Molecular Formula | C9H10ClF3N2O2 |
| Molecular Weight | 270.63600 |
| Flash Point | 134.6ºC |
| Exact Mass | 270.03800 |
| PSA | 44.12000 |
| LogP | 2.42680 |
| Index of Refraction | 1.491 |
| InChIKey | HUNTWKCKPLUKBV-UHFFFAOYSA-N |
| SMILES | CCOC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933199090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~84%
ethyl 2-(4-chlo... CAS#:345237-74-3 |
| Literature: ChemoCentryx, Inc.; Chen, Xi; Dragoli, Dean R.; Fan, Pingchen; Li, Yandong; Powers, Jay P.; Punna, Sreenivas; Tanaka, Hiroko; Zhang, Penglie Patent: US2014/57937 A1, 2014 ; Location in patent: Paragraph 0093; 0094 ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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| DownStream 1 | |
CAS#:378758-70-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933199090 |
|---|---|
| Summary | 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: A High Throughput Screening Assay for Inhibitors of Bacterial Motility in Vibrio chol...
Source: Southern Research Institute
Target: N/A
External Id: CHOL_MOT
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Name: Fluorescence-based counterscreen assay for HCV NS3 helicase inhibitors of a ChemBridg...
Source: 1102
Target: N/A
External Id: 20130627FPNS3INTERFERECB
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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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Name: Chemical Probes of Kaposi's Sarcoma Herpes Virus Latent Infection
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: ORF 73 [Human herpesvirus 8 type M]
External Id: HMS791
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Name: Fluorescence polarization based primary biochemical high throughput screening assay o...
Source: 1102
Target: NS3 [Hepatitis C virus]
External Id: 20130624FPNS3DACB
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Name: High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS1303
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Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (4-chloro-2-methylsulfanyl-pyrimidin-5-yl)-acetic acid ethyl ester |
| 4-Chlor-5-ethoxycarbonylmethyl-2-methylmercapto-pyrimidin |
| ETHYL 2-(4-CHLORO-2-(METHYLTHIO)PYRIMIDIN-5-YL)ACETATE |
| ethyl 2-(4-chloro-2-methylsulfanyl-pyrimidin-5-yl)acetate |
| ethyl [4-chloro-2-(methylthio)pyrimidin-5-yl]acetate |
| ethyl 2-(4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate |
| MFCD01527957 |
| (4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid ethyl ester |
| 1H-Pyrazole-1-acetic acid, 4-chloro-5-methyl-3-(trifluoromethyl)-, ethyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of Ethyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate? |
| A: LogP of Ethyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate is 2.42680. |
| Q: What is the polar surface area (PSA) of Ethyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate? |
| A: Polar surface area (PSA) of Ethyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate is 44.12000. |
| Q: What is the boiling point of Ethyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate? |
| A: Boiling point of Ethyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate is 298.9ºC at 760 mmHg. |
| Q: What is the CAS number of Ethyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate? |
| A: CAS number of Ethyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate is 345237-74-3. |
| Q: What are the downstream products of Ethyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate? |
| A: Related downstream products(CAS) of Ethyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate: 378758-70-4. |
| Q: What is the InChIKey of Ethyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate? |
| A: InChIKey of Ethyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate is HUNTWKCKPLUKBV-UHFFFAOYSA-N. |
| Q: What is the English name of Ethyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate? |
| A: The English name of Ethyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate is Ethyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate. |
| Q: What are the upstream materials of Ethyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate? |
| A: Related upstream materials(CAS) of Ethyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate: 235106-12-4;105-36-2. |
| Q: What is the molecular formula of Ethyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate? |
| A: Molecular formula of Ethyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate is C9H10ClF3N2O2. |
| Q: What is the molecular weight of Ethyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate? |
| A: Molecular weight of Ethyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate is 270.63600. |
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. |