2-Fluoro-4-nitroanisole
2-Fluoro-4-nitroanisole structure
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Common Name | 2-Fluoro-4-nitroanisole | ||
|---|---|---|---|---|
| CAS Number | 455-93-6 | Molecular Weight | 171.12600 | |
| Density | 1.321 g/cm3 | Boiling Point | 277.2ºC at 760 mmHg | |
| Molecular Formula | C7H6FNO3 | Melting Point | 103-105 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 121.4ºC | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Fluoro-4-nitroanisole |
|---|---|
| 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 | 1.321 g/cm3 |
|---|---|
| Boiling Point | 277.2ºC at 760 mmHg |
| Melting Point | 103-105 °C(lit.) |
| Molecular Formula | C7H6FNO3 |
| Molecular Weight | 171.12600 |
| Flash Point | 121.4ºC |
| Exact Mass | 171.03300 |
| PSA | 55.05000 |
| LogP | 2.26570 |
| Vapour Pressure | 0.000519mmHg at 25°C |
| Index of Refraction | 1.552 |
| InChIKey | XGMVTXUXZUPGGY-UHFFFAOYSA-N |
| SMILES | COc1ccc([N+](=O)[O-])cc1F |
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 |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2909309090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:67-56-1
CAS#:369-34-6
CAS#:321-28-8
CAS#:100-17-4
CAS#:403-19-0
CAS#:350-31-2
CAS#:124-41-4
CAS#:99-59-2
CAS#:367-11-3
CAS#:7697-37-2
CAS#:636-93-1
CAS#:452-11-9
CAS#:399-96-2
CAS#:366-99-4
CAS#:61292-63-5
CAS#:709-09-1
CAS#:7501-46-4
CAS#:124431-92-1This 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 lists relevant public references with title, journal and publication metadata for this compound.
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The element effect and nucleophilicity in nucleophilic aromatic photosubstitution (SN2Ar*). Local atom effects as mechanistic probes of very fast reactions.
J. Org. Chem. 73(5) , 1925-34, (2008) Photoreactions of 4-nitroanisole and the 2-halo-4-nitroanisoles (halogen = F, Cl, Br, and I) with the nucleophiles hydroxide ion and pyridine have been investigated quantitatively to extend the findin... |
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The photosubstitution of 2-fluoro-4-nitroanisole with n-hexylamine. Evidence of two different triplet excited states in a dual mechanistic pathway. Pleixats R and Marquet J.
Tetrahedron 46(4) , 1343-52, (1990)
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The Search for Biochemical Photoprobes. III. The Photoreactions of 4-Nitroveratrole and 2-Fluoro-4-nitroanisole with Bovine Pancreatic Ribonuclease A and with Model Nucleophiles. Marquet J, et al.
Tetrahedron 49(6) , 1297-1306, (1993)
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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.
| MFCD00061095 |
| 2-Fluoro-1-methoxy-4-nitrobenzene |
| 2-Fluoro-4-Nitroanisole |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 2-Fluoro-4-nitroanisole? |
| A: Polar surface area (PSA) of 2-Fluoro-4-nitroanisole is 55.05000. |
| Q: What are the upstream materials of 2-Fluoro-4-nitroanisole? |
| A: Related upstream materials(CAS) of 2-Fluoro-4-nitroanisole: 67-56-1;369-34-6;321-28-8;100-17-4;403-19-0;350-31-2;124-41-4;99-59-2;367-11-3;7697-37-2. |
| Q: What English synonyms does 2-Fluoro-4-nitroanisole have? |
| A: English synonyms of 2-Fluoro-4-nitroanisole: MFCD00061095, 2-Fluoro-1-methoxy-4-nitrobenzene, 2-Fluoro-4-Nitroanisole. |
| Q: What is the LogP of 2-Fluoro-4-nitroanisole? |
| A: LogP of 2-Fluoro-4-nitroanisole is 2.26570. |
| Q: What are the downstream products of 2-Fluoro-4-nitroanisole? |
| A: Related downstream products(CAS) of 2-Fluoro-4-nitroanisole: 403-19-0;636-93-1;452-11-9;399-96-2;366-99-4;61292-63-5;99-59-2;709-09-1;7501-46-4;124431-92-1. |
| Q: What is the SMILES notation of 2-Fluoro-4-nitroanisole? |
| A: SMILES notation of 2-Fluoro-4-nitroanisole is COc1ccc([N+](=O)[O-])cc1F. |
| Q: What is the melting point of 2-Fluoro-4-nitroanisole? |
| A: Melting point of 2-Fluoro-4-nitroanisole is 103-105 °C(lit.). |
| Q: What is the molecular weight of 2-Fluoro-4-nitroanisole? |
| A: Molecular weight of 2-Fluoro-4-nitroanisole is 171.12600. |
| Q: What is the safety information for 2-Fluoro-4-nitroanisole? |
| A: Safety information for 2-Fluoro-4-nitroanisole: S26-S37/39. |
| Q: What is the English name of 2-Fluoro-4-nitroanisole? |
| A: The English name of 2-Fluoro-4-nitroanisole is 2-Fluoro-4-nitroanisole. |
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. |