3,4-Difluoronitrobenzene
3,4-Difluoronitrobenzene structure
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Common Name | 3,4-Difluoronitrobenzene | ||
|---|---|---|---|---|
| CAS Number | 369-34-6 | Molecular Weight | 159.09 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 200.0±0.0 °C at 760 mmHg | |
| Molecular Formula | C6H3F2NO2 | Melting Point | 80-81ºC (14 mmHg) | |
| MSDS | Chinese USA | Flash Point | 80.6±0.0 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Use of 3,4-Difluoronitrobenzene3,4-Difluoronitrobenzene is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3,4-Difluoronitrobenzene |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 3,4-Difluoronitrobenzene is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
|---|---|
| Related Catalog |
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 | 200.0±0.0 °C at 760 mmHg |
| Melting Point | 80-81ºC (14 mmHg) |
| Molecular Formula | C6H3F2NO2 |
| Molecular Weight | 159.09 |
| Flash Point | 80.6±0.0 °C |
| Exact Mass | 159.013184 |
| PSA | 45.82000 |
| LogP | 1.66 |
| Vapour Pressure | 0.5±0.3 mmHg at 25°C |
| Index of Refraction | 1.510 |
| InChIKey | RUBQQRMAWLSCCJ-UHFFFAOYSA-N |
| SMILES | O=[N+]([O-])c1ccc(F)c(F)c1 |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents, strong bases. |
| Water Solubility | insoluble |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATAMUTATION DATA
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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 | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn:Harmful |
| Risk Phrases | R20/21/22;R36/37/38 |
| Safety Phrases | S26-S36/37/39 |
| RIDADR | 2810 |
| WGK Germany | 3 |
| RTECS | CZ5710000 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2904909090 |
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 | |
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CAS#:252337-29-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2904909090 |
|---|---|
| Summary | HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated 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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A combined experimental and computational thermodynamic study of difluoronitrobenzene isomers.
J. Phys. Chem. B 114(40) , 12914-25, (2010) This work reports the experimental and computational thermochemical study performed on three difluorinated nitrobenzene isomers: 2,4-difluoronitrobenzene (2,4-DFNB), 2,5-difluoronitrobenzene (2,5-DFNB... |
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Synthesis of heterocyclic compounds via nucleophilic aroylation catalyzed by imidazolidenyl carbene.
Chem. Pharm. Bull. 54(12) , 1653-8, (2006) Xanthones and acridones were synthesized from 3,4-difluoronitrobenzene and 2-fluorobenzaldehydes in two or three steps. The key step was nucleophilic aroylation catalyzed by imidazolidenyl carbene. Th... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1,2-Difluoro-4-nitrobenzene |
| 3,4-Difluoro-nitrobenzene |
| 4-Difluoronitrobenzene |
| 3,4-difluoro-1-nitrobenzene |
| 2,3-difluoro-6-nitrobenzene |
| 3,4-Difluoronitroben |
| 1,2-difluoro-4-nitro-benzen |
| MFCD00007198 |
| WNR CF DF |
| 3,4-Difluoronitrobenzene |
| 1-Nitro-3,4-difluorobenzene |
| EINECS 206-718-2 |
| Benzene,1,2-difluoro-4-nitro |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 3,4-Difluoronitrobenzene? |
| A: Molecular formula of 3,4-Difluoronitrobenzene is C6H3F2NO2. |
| Q: How is the water solubility of 3,4-Difluoronitrobenzene? |
| A: Water solubility of 3,4-Difluoronitrobenzene: insoluble. |
| Q: What is the polar surface area (PSA) of 3,4-Difluoronitrobenzene? |
| A: Polar surface area (PSA) of 3,4-Difluoronitrobenzene is 45.82000. |
| Q: What is the safety information for 3,4-Difluoronitrobenzene? |
| A: Safety information for 3,4-Difluoronitrobenzene: S26-S36/37/39. |
| Q: What is the InChIKey of 3,4-Difluoronitrobenzene? |
| A: InChIKey of 3,4-Difluoronitrobenzene is RUBQQRMAWLSCCJ-UHFFFAOYSA-N. |
| Q: What is the LogP of 3,4-Difluoronitrobenzene? |
| A: LogP of 3,4-Difluoronitrobenzene is 1.66. |
| Q: What is the SMILES notation of 3,4-Difluoronitrobenzene? |
| A: SMILES notation of 3,4-Difluoronitrobenzene is O=[N+]([O-])c1ccc(F)c(F)c1. |
| Q: What is the molecular weight of 3,4-Difluoronitrobenzene? |
| A: Molecular weight of 3,4-Difluoronitrobenzene is 159.09. |
| Q: What is the CAS number of 3,4-Difluoronitrobenzene? |
| A: CAS number of 3,4-Difluoronitrobenzene is 369-34-6. |
| Q: What are the uses of 3,4-Difluoronitrobenzene? |
| A: Main uses of 3,4-Difluoronitrobenzene: 3,4-Difluoronitrobenzene is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
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. |
| Henan Tianfu Chemical Co., Ltd. |