1,2-Bis(4-fluorophenyl)-1,2-ethanedione
1,2-Bis(4-fluorophenyl)-1,2-ethanedione structure
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Common Name | 1,2-Bis(4-fluorophenyl)-1,2-ethanedione | ||
|---|---|---|---|---|
| CAS Number | 579-39-5 | Molecular Weight | 246.209 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 370.2±27.0 °C at 760 mmHg | |
| Molecular Formula | C14H8F2O2 | Melting Point | 120-122 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 141.5±17.9 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4,4'-difluorobenzil |
|---|---|
| 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 | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 370.2±27.0 °C at 760 mmHg |
| Melting Point | 120-122 °C(lit.) |
| Molecular Formula | C14H8F2O2 |
| Molecular Weight | 246.209 |
| Flash Point | 141.5±17.9 °C |
| Exact Mass | 246.049240 |
| PSA | 34.14000 |
| LogP | 3.82 |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.562 |
| InChIKey | BRKULQOUSCHDGS-UHFFFAOYSA-N |
| SMILES | O=C(C(=O)c1ccc(F)cc1)c1ccc(F)cc1 |
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 | 2914700090 |
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 9 | |
|---|---|
| DownStream 9 | |
CAS#:53458-16-5
CAS#:459-57-4
CAS#:24133-58-2
CAS#:2751-90-8
CAS#:3457-46-3
CAS#:1493-23-8
CAS#:106675-70-1
CAS#:366-68-7
CAS#:71-36-3
CAS#:107680-02-4
CAS#:107680-01-3
CAS#:107659-75-6
CAS#:107659-51-8
CAS#:58547-67-4
CAS#:4100-99-6This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914700090 |
|---|---|
| Summary | HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% 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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Iridium(III) complexes with orthometalated quinoxaline ligands: subtle tuning of emission to the saturated red color.
Inorg. Chem. 44(5) , 1344-53, (2005) Rational design and syntheses of four iridium complexes (1-4) bearing two substituted quinoxalines and an additional 5-(2-pyridyl) pyrazolate or triazolate as the third coordinating ligand are reporte... |
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Versatile access to benzhydryl-phenylureas through an unexpected rearrangement during microwave-enhanced synthesis of hydantoins.
Org. Lett. 5(20) , 3599-602, (2003) [reaction: see text] A new access to benzhydryl-phenylureas is described. These new interesting urea derivatives were obtained by reaction of substituted benzils with substituted phenylureas under mic... |
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Studies on the Condensation Pathway to and Properties of Diiron Azadithiolate Carbonyls.
Organometallics 26(8) , 1907-1911, (2007) Reaction of Fe(2)(SH)(2)(CO)(6) and HCHO, which gives Fe(2)[(SCH(2))(2)NH](CO)(6) in the presence of NH(3), affords the possible intermediate Fe(2)(SCH(2)OH)(2)(CO)(6), which has been characterized cr... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of human carboxylesterase 1
Source: ChEMBL
Target: Liver carboxylesterase 1
External Id: CHEMBL1019596
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Name: Inhibition of human intestinal carboxylesterase
Source: ChEMBL
Target: N/A
External Id: CHEMBL1019595
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Name: Inhibition constant against human intestinal carboxylesterase 2 (hiCE) using nitrophe...
Source: ChEMBL
Target: Cocaine esterase
External Id: CHEMBL839684
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Name: Enzyme Inhibition Assay from Article 10.1021/jm049011j: "Identification and character...
Source: BindingDB
Target: N/A
External Id: BindingDB_2621_1
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Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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Name: Inhibition constant against human Acetylcholinesterase (hAcChE) using acetylthiocholi...
Source: ChEMBL
Target: Acetylcholinesterase
External Id: CHEMBL829841
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Name: Inhibition constant against rabbit liver carboxylesterase (rCE) using nitrophenyl ace...
Source: ChEMBL
Target: Liver carboxylesterase 1
External Id: CHEMBL828256
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Name: Inhibition constant against human Butyrylcholinesterase (hBuChE) using butyrylthiocho...
Source: ChEMBL
Target: Cholinesterase
External Id: CHEMBL828255
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1,2-bis(4-fluorophenyl)ethane-1,2-dione |
| 1,2-Bis(4-fluorophenyl)-1,2-ethanedione |
| MFCD00134541 |
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 4,4'-difluorobenzil? |
| A: Polar surface area (PSA) of 4,4'-difluorobenzil is 34.14000. |
| Q: What are the downstream products of 4,4'-difluorobenzil? |
| A: Related downstream products(CAS) of 4,4'-difluorobenzil: 107680-02-4;107680-01-3;107659-75-6;107659-51-8;58547-67-4;366-68-7;4100-99-6;3457-46-3;24133-58-2. |
| Q: What are the upstream materials of 4,4'-difluorobenzil? |
| A: Related upstream materials(CAS) of 4,4'-difluorobenzil: 53458-16-5;459-57-4;24133-58-2;2751-90-8;3457-46-3;1493-23-8;106675-70-1;366-68-7;71-36-3. |
| Q: What is the molecular formula of 4,4'-difluorobenzil? |
| A: Molecular formula of 4,4'-difluorobenzil is C14H8F2O2. |
| Q: What is the molecular weight of 4,4'-difluorobenzil? |
| A: Molecular weight of 4,4'-difluorobenzil is 246.209. |
| Q: What is the LogP of 4,4'-difluorobenzil? |
| A: LogP of 4,4'-difluorobenzil is 3.82. |
| Q: What is the boiling point of 4,4'-difluorobenzil? |
| A: Boiling point of 4,4'-difluorobenzil is 370.2±27.0 °C at 760 mmHg. |
| Q: What is the CAS number of 4,4'-difluorobenzil? |
| A: CAS number of 4,4'-difluorobenzil is 579-39-5. |
| Q: What is the English name of 4,4'-difluorobenzil? |
| A: The English name of 4,4'-difluorobenzil is 4,4'-difluorobenzil. |
| Q: What is the safety information for 4,4'-difluorobenzil? |
| A: Safety information for 4,4'-difluorobenzil: S26-S37/39. |
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. |