4-Bromo-3,5-difluoroaniline
4-Bromo-3,5-difluoroaniline structure
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Common Name | 4-Bromo-3,5-difluoroaniline | ||
|---|---|---|---|---|
| CAS Number | 203302-95-8 | Molecular Weight | 208.003 | |
| Density | 1.8±0.1 g/cm3 | Boiling Point | 223.7±35.0 °C at 760 mmHg | |
| Molecular Formula | C6H4BrF2N | Melting Point | 99-101°C | |
| MSDS | USA | Flash Point | 89.1±25.9 °C | |
Summary: 4-Bromo-3,5-difluoroaniline (Chinese name: 4-溴-3,5-二氟苯胺，CAS number: 203302-95-8) is a white to light brown powder or crystal. Its molecular formula is C6H4BrF2N and molecular weight is 208.003. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-Bromo-3,5-difluoroaniline |
|---|---|
| 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 | 1.8±0.1 g/cm3 |
|---|---|
| Boiling Point | 223.7±35.0 °C at 760 mmHg |
| Melting Point | 99-101°C |
| Molecular Formula | C6H4BrF2N |
| Molecular Weight | 208.003 |
| Flash Point | 89.1±25.9 °C |
| Exact Mass | 206.949509 |
| PSA | 26.02000 |
| LogP | 2.81 |
| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
| Index of Refraction | 1.570 |
| InChIKey | DKKUSFDAHRASGO-UHFFFAOYSA-N |
| SMILES | Nc1cc(F)c(Br)c(F)c1 |
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 | Xi |
|---|---|
| RIDADR | UN2811 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2921420090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~79%
4-Bromo-3,5-dif... CAS#:203302-95-8 |
| Literature: NOVARTIS AG; FU, Xingnian; HE, Feng; LI, Yue; LIU, Lei; MI, Yuan; XU, Yao-chang; XUN, Guoliang; YU, Zhengtian; ZHANG, Ji Yue (Jeff); DAI, Miao Patent: WO2011/18454 A1, 2011 ; Location in patent: Page/Page column 59-60 ; WO 2011/018454 A1 |
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~84%
4-Bromo-3,5-dif... CAS#:203302-95-8 |
| Literature: Safina, Larisa Yu.; Selivanova, Galina A.; Koltunov, Konstantin Yu.; Shteingarts, Vitalij D. Tetrahedron Letters, 2009 , vol. 50, # 37 p. 5245 - 5247 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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| DownStream 1 | |
CAS#:1022091-49-1This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2921420090 |
|---|---|
| Summary | HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Chan-Lam from Article : "Open science discovery of potent noncovalent SARS-CoV-2 main...
Source: BindingDB
Target: N/A
External Id: BindingDB_11549_1
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-bromo-3,5-difluoro-Benzenamine |
| 4-bromo-3,5-difluoro-phenylamine |
| 4-Bromo-3,5-difluoroaniline |
| ZR CF EF DE |
| MFCD00236593 |
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 4-Bromo-3,5-difluoroaniline? |
| A: SMILES notation of 4-Bromo-3,5-difluoroaniline is Nc1cc(F)c(Br)c(F)c1. |
| Q: What are the upstream materials of 4-Bromo-3,5-difluoroaniline? |
| A: Related upstream materials(CAS) of 4-Bromo-3,5-difluoroaniline: 372-39-4;541539-64-4. |
| Q: What is the English name of 4-Bromo-3,5-difluoroaniline? |
| A: The English name of 4-Bromo-3,5-difluoroaniline is 4-Bromo-3,5-difluoroaniline. |
| Q: What is the molecular formula of 4-Bromo-3,5-difluoroaniline? |
| A: Molecular formula of 4-Bromo-3,5-difluoroaniline is C6H4BrF2N. |
| Q: What is the boiling point of 4-Bromo-3,5-difluoroaniline? |
| A: Boiling point of 4-Bromo-3,5-difluoroaniline is 223.7±35.0 °C at 760 mmHg. |
| Q: What are the downstream products of 4-Bromo-3,5-difluoroaniline? |
| A: Related downstream products(CAS) of 4-Bromo-3,5-difluoroaniline: 1022091-49-1. |
| Q: What is the LogP of 4-Bromo-3,5-difluoroaniline? |
| A: LogP of 4-Bromo-3,5-difluoroaniline is 2.81. |
| Q: What English synonyms does 4-Bromo-3,5-difluoroaniline have? |
| A: English synonyms of 4-Bromo-3,5-difluoroaniline: 4-bromo-3,5-difluoro-Benzenamine, 4-bromo-3,5-difluoro-phenylamine, 4-Bromo-3,5-difluoroaniline, ZR CF EF DE, MFCD00236593. |
| Q: What is the melting point of 4-Bromo-3,5-difluoroaniline? |
| A: Melting point of 4-Bromo-3,5-difluoroaniline is 99-101°C. |
| Q: What is the molecular weight of 4-Bromo-3,5-difluoroaniline? |
| A: Molecular weight of 4-Bromo-3,5-difluoroaniline is 208.003. |
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. |