3-Fluoro-4-nitrophenol structure
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Common Name | 3-Fluoro-4-nitrophenol | ||
|---|---|---|---|---|
| CAS Number | 394-41-2 | Molecular Weight | 157.099 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 323.6±27.0 °C at 760 mmHg | |
| Molecular Formula | C6H4FNO3 | Melting Point | 93-95 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 149.5±23.7 °C | |
| Symbol |
GHS05, GHS07 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Fluoro-4-nitrophenol |
|---|---|
| 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 | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 323.6±27.0 °C at 760 mmHg |
| Melting Point | 93-95 °C(lit.) |
| Molecular Formula | C6H4FNO3 |
| Molecular Weight | 157.099 |
| Flash Point | 149.5±23.7 °C |
| Exact Mass | 157.017517 |
| PSA | 66.05000 |
| LogP | 1.71 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.582 |
| InChIKey | CSSGKHVRDGATJL-UHFFFAOYSA-N |
| SMILES | O=[N+]([O-])c1ccc(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 |
GHS05, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302-H315-H318-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R20/21/22;R36/37/38 |
| Safety Phrases | S26-S39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 2 |
| HS Code | 2942000000 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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3-Fluoro-4-nitr... CAS#:394-41-2 |
| Literature: Heterocycles, , vol. 34, # 12 p. 2301 - 2311 |
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~26%
3-Fluoro-4-nitr... CAS#:394-41-2 |
| Literature: WO2009/35407 A1, ; Page/Page column 8; 19-20 ; |
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3-Fluoro-4-nitr... CAS#:394-41-2 |
| Literature: Journal of the American Chemical Society, , vol. 131, # 37 p. 13415 - 13422 |
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3-Fluoro-4-nitr... CAS#:394-41-2 |
| Literature: Journal of the American Chemical Society, , vol. 131, # 37 p. 13415 - 13422 |
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3-Fluoro-4-nitr... CAS#:394-41-2 |
| Literature: Journal of the American Chemical Society, , vol. 131, # 37 p. 13415 - 13422 |
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~%
3-Fluoro-4-nitr... CAS#:394-41-2 |
| Literature: Journal of the American Chemical Society, , vol. 131, # 37 p. 13415 - 13422 |
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~%
3-Fluoro-4-nitr... CAS#:394-41-2 |
| Literature: Journal of the American Chemical Society, , vol. 131, # 37 p. 13415 - 13422 |
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3-Fluoro-4-nitr... CAS#:394-41-2 |
| Literature: Journal of the Chemical Society, , p. 1881 Journal of the Chemical Society, , vol. 127, p. 1602 Journal of the Chemical Society, , p. 159 |
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~%
3-Fluoro-4-nitr... CAS#:394-41-2 |
| Literature: Journal of the Chemical Society, , p. 1881 Journal of the Chemical Society, , vol. 127, p. 1602 Journal of the Chemical Society, , p. 159 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 10 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2908999090 |
|---|---|
| Summary | 2908999090 halogenated, sulphonated, nitrated or nitrosated derivatives of phenols or phenol-alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。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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An NMR-based metabonomic approach to the investigation of coelomic fluid biochemistry in earthworms under toxic stress.
FEBS Lett. 500(1-2) , 31-5, (2001) The endogenous metabolites of the coelomic fluid of the earthworm Eisenia veneta were characterised using high-resolution one-dimensional and two-dimensional 1H nuclear magnetic resonance spectroscopy... |
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Solid phase synthesis of 5, 6, 7, 8-tetrahydro-1H-imidazo [4, 5-g] quinoxalin-6-ones. Mazurov A.
Tetrahedron Lett. 41(1) , 7-10, (2000)
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Synthesis of the farnesyl ether 2, 3, 5-trifluoro-6-hydroxy-4-[(E,E)-3,7,11-trimethyldodeca-2, 6,10-trien-1-yloxy] nitrobenzene, and related compounds containing a substituted hydroxytrifluorophenyl residue: Marriott JH, et al.
J. Chem. Soc. Perkin Trans. I 24 , 4265-78, (2000)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Fluoro-4-hydroxynitrobenzene |
| 3-Fluoro-4-nitrophenol |
| MFCD00041251 |
| WNR DQ BF |
| EINECS 206-895-6 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 3-Fluoro-4-nitrophenol? |
| A: SMILES notation of 3-Fluoro-4-nitrophenol is O=[N+]([O-])c1ccc(O)cc1F. |
| Q: What is the InChIKey of 3-Fluoro-4-nitrophenol? |
| A: InChIKey of 3-Fluoro-4-nitrophenol is CSSGKHVRDGATJL-UHFFFAOYSA-N. |
| Q: What are the downstream products of 3-Fluoro-4-nitrophenol? |
| A: Related downstream products(CAS) of 3-Fluoro-4-nitrophenol: 399-95-1;14703-80-1;141097-09-8;446-38-8;458-52-6;205700-47-6;28987-49-7;256935-98-5;256935-94-1;28987-50-0. |
| Q: What is the molecular weight of 3-Fluoro-4-nitrophenol? |
| A: Molecular weight of 3-Fluoro-4-nitrophenol is 157.099. |
| Q: What is the boiling point of 3-Fluoro-4-nitrophenol? |
| A: Boiling point of 3-Fluoro-4-nitrophenol is 323.6±27.0 °C at 760 mmHg. |
| Q: What is the melting point of 3-Fluoro-4-nitrophenol? |
| A: Melting point of 3-Fluoro-4-nitrophenol is 93-95 °C(lit.). |
| Q: What is the polar surface area (PSA) of 3-Fluoro-4-nitrophenol? |
| A: Polar surface area (PSA) of 3-Fluoro-4-nitrophenol is 66.05000. |
| Q: What is the safety information for 3-Fluoro-4-nitrophenol? |
| A: Safety information for 3-Fluoro-4-nitrophenol: S26-S39. |
| Q: What is the CAS number of 3-Fluoro-4-nitrophenol? |
| A: CAS number of 3-Fluoro-4-nitrophenol is 394-41-2. |
| Q: What is the molecular formula of 3-Fluoro-4-nitrophenol? |
| A: Molecular formula of 3-Fluoro-4-nitrophenol is C6H4FNO3. |
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. |