1-Methoxy-4-nitro-2-(trifluoromethyl)benzene
1-Methoxy-4-nitro-2-(trifluoromethyl)benzene structure
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Common Name | 1-Methoxy-4-nitro-2-(trifluoromethyl)benzene | ||
|---|---|---|---|---|
| CAS Number | 654-76-2 | Molecular Weight | 221.133 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 267.2±40.0 °C at 760 mmHg | |
| Molecular Formula | C8H6F3NO3 | Melting Point | 79-81 °C(lit.) | |
| MSDS | N/A | Flash Point | 115.4±27.3 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-methoxy-5-nitrobenzotrifluoride |
|---|---|
| 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 | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 267.2±40.0 °C at 760 mmHg |
| Melting Point | 79-81 °C(lit.) |
| Molecular Formula | C8H6F3NO3 |
| Molecular Weight | 221.133 |
| Flash Point | 115.4±27.3 °C |
| Exact Mass | 221.029984 |
| PSA | 55.05000 |
| LogP | 3.16 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.472 |
| InChIKey | KGFADEJSZXEVMC-UHFFFAOYSA-N |
| SMILES | COc1ccc([N+](=O)[O-])cc1C(F)(F)F |
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.
| Hazard Codes | C: Corrosive; |
|---|---|
| Risk Phrases | R20/22;R36/37/38 |
| Safety Phrases | S26-S27-S28-S36/37/39-S45 |
| RIDADR | UN 1759 8/PG 2 |
| WGK Germany | 3 |
| Packaging Group | II |
| Hazard Class | 8 |
| HS Code | 2909309090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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1-Methoxy-4-nit... CAS#:654-76-2 |
| Literature: US4225731 A1, ; |
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1-Methoxy-4-nit... CAS#:654-76-2 |
| Literature: WO2005/80340 A1, ; Page/Page column 50 ; |
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1-Methoxy-4-nit... CAS#:654-76-2 |
| Literature: Bromidge, Steven M.; Dabbs, Steven; Davies, David T.; Duckworth, D. Malcolm; Forbes, Ian T.; Ham, Peter; Jones, Graham E.; King, Frank D.; Saunders, Damian V.; Starr, Susannah; Thewlis, Kevin M.; Wyman, Paul A.; Blaney, Frank E.; Naylor, Christopher B.; Bailey, Fiona; Blackburn, Thomas P.; Holland, Vicky; Kennett, Guy A.; Riley, Graham J.; Wood, Martyn D. Journal of Medicinal Chemistry, 1998 , vol. 41, # 10 p. 1598 - 1612 |
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1-Methoxy-4-nit... CAS#:654-76-2 |
| Literature: Journal of Organic Chemistry, , vol. 26, p. 2707 - 2710 |
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1-Methoxy-4-nit... CAS#:654-76-2 |
| Literature: Journal of Organic Chemistry, , vol. 26, p. 2707 - 2710 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 9 | |
CAS#:393-15-7
CAS#:1535-76-8
CAS#:1548-61-4
CAS#:1514-11-0
CAS#:178896-79-2
CAS#:178896-77-0
CAS#:178896-78-1
CAS#:6960-37-8
CAS#:53903-51-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2909309090 |
|---|---|
| Summary | 2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-Methoxy-4-nitro-2-(trifluoromethyl)benzene |
| WNR DO1 CXFFF |
| MFCD00007328 |
| 2-Methoxy-5-nitrobenzotrifluoride |
| 4-Nitro-2-(trifluoromethyl)anisole |
| Methyl 4-nitro-2-(trifluoromethyl)phenyl ether |
| EINECS 211-507-3 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 2-methoxy-5-nitrobenzotrifluoride? |
| A: The English name of 2-methoxy-5-nitrobenzotrifluoride is 2-methoxy-5-nitrobenzotrifluoride. |
| Q: What are the upstream materials of 2-methoxy-5-nitrobenzotrifluoride? |
| A: Related upstream materials(CAS) of 2-methoxy-5-nitrobenzotrifluoride: 777-37-7;400-74-8;124-41-4;88-16-4;67-56-1. |
| Q: What is the InChIKey of 2-methoxy-5-nitrobenzotrifluoride? |
| A: InChIKey of 2-methoxy-5-nitrobenzotrifluoride is KGFADEJSZXEVMC-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 2-methoxy-5-nitrobenzotrifluoride? |
| A: Molecular weight of 2-methoxy-5-nitrobenzotrifluoride is 221.133. |
| Q: What is the LogP of 2-methoxy-5-nitrobenzotrifluoride? |
| A: LogP of 2-methoxy-5-nitrobenzotrifluoride is 3.16. |
| Q: What is the boiling point of 2-methoxy-5-nitrobenzotrifluoride? |
| A: Boiling point of 2-methoxy-5-nitrobenzotrifluoride is 267.2±40.0 °C at 760 mmHg. |
| Q: What is the CAS number of 2-methoxy-5-nitrobenzotrifluoride? |
| A: CAS number of 2-methoxy-5-nitrobenzotrifluoride is 654-76-2. |
| Q: What is the SMILES notation of 2-methoxy-5-nitrobenzotrifluoride? |
| A: SMILES notation of 2-methoxy-5-nitrobenzotrifluoride is COc1ccc([N+](=O)[O-])cc1C(F)(F)F. |
| Q: What is the melting point of 2-methoxy-5-nitrobenzotrifluoride? |
| A: Melting point of 2-methoxy-5-nitrobenzotrifluoride is 79-81 °C(lit.). |
| Q: What is the polar surface area (PSA) of 2-methoxy-5-nitrobenzotrifluoride? |
| A: Polar surface area (PSA) of 2-methoxy-5-nitrobenzotrifluoride is 55.05000. |
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. |