4-Fluorobenzenesulfonamide
4-Fluorobenzenesulfonamide structure
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Common Name | 4-Fluorobenzenesulfonamide | ||
|---|---|---|---|---|
| CAS Number | 402-46-0 | Molecular Weight | 175.18100 | |
| Density | 1.428g/cm3 | Boiling Point | 307.9ºC at 760mmHg | |
| Molecular Formula | C6H6FNO2S | Melting Point | 124-127 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 140ºC | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Summary: 4-Fluorobenzenesulfonamide (Chinese name: 4-氟苯磺酰胺, CAS number: 402-46-0), molecular formula: C6H6FNO2S, molecular weight: 175.18100, melting point: 124-127 °C. 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-Fluorobenzenesulfonamide |
|---|---|
| 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 | 1.428g/cm3 |
|---|---|
| Boiling Point | 307.9ºC at 760mmHg |
| Melting Point | 124-127 °C(lit.) |
| Molecular Formula | C6H6FNO2S |
| Molecular Weight | 175.18100 |
| Flash Point | 140ºC |
| Exact Mass | 175.01000 |
| PSA | 68.54000 |
| LogP | 2.25420 |
| Vapour Pressure | 0.000705mmHg at 25°C |
| Index of Refraction | 1.554 |
| InChIKey | LFLSATHZMYYIAQ-UHFFFAOYSA-N |
| SMILES | NS(=O)(=O)c1ccc(F)cc1 |
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 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 | H302-H315-H319-H335 |
| Precautionary Statements | P301 + P312 + P330-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges |
| Hazard Codes | T:Toxic; |
| Risk Phrases | R23/24/25;R36/37/38 |
| Safety Phrases | S26-S36-S45 |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | DB2630000 |
| HS Code | 2935009090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~88%
4-Fluorobenzene... CAS#:402-46-0 |
| Literature: Braun, Manfred; Opdenbusch, Kersten Liebigs Annales, 1997 , # 1 p. 141 - 154 |
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~93%
4-Fluorobenzene... CAS#:402-46-0 |
| Literature: Wan, Yiqian; Wu, Xiongyu; Kannan, Mahalingam A.; Alterman, Mathias Tetrahedron Letters, 2003 , vol. 44, # 24 p. 4523 - 4525 |
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~%
4-Fluorobenzene... CAS#:402-46-0 |
| Literature: Huntress; Carten Journal of the American Chemical Society, 1940 , vol. 62, p. 511,512 |
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~65%
4-Fluorobenzene... CAS#:402-46-0
Learn More
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| Literature: Dang, Hai-Shan; Roberts, Brian P. Journal of the Chemical Society - Perkin Transactions 1, 1996 , # 13 p. 1493 - 1498 |
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~64%
4-Fluorobenzene... CAS#:402-46-0
Detail
Learn More
|
| Literature: Dang, Hai-Shan; Roberts, Brian P. Journal of the Chemical Society - Perkin Transactions 1, 1996 , # 13 p. 1493 - 1498 |
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~5%
4-Fluorobenzene... CAS#:402-46-0
Detail
Learn More
|
| Literature: Dang, Hai-Shan; Roberts, Brian P. Journal of the Chemical Society - Perkin Transactions 1, 1996 , # 13 p. 1493 - 1498 |
|
~%
4-Fluorobenzene... CAS#:402-46-0 |
| Literature: Yakobson,G.G. et al. J. Gen. Chem. USSR (Engl. Transl.), 1967 , vol. 37, # 1 p. 163 - 170,149 - 155 |
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~%
4-Fluorobenzene... CAS#:402-46-0 |
| Literature: Yakobson,G.G. et al. J. Gen. Chem. USSR (Engl. Transl.), 1967 , vol. 37, # 1 p. 163 - 170,149 - 155 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 10 | |
CAS#:105899-98-7
CAS#:312-52-7
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CAS#:7062-49-9
CAS#:727-36-6
CAS#:98996-94-2
CAS#:501682-72-0This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2935009090 |
|---|---|
| Summary | 2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Superacid synthesis of halogen containing N-substituted-4-aminobenzene sulfonamides: new selective tumor-associated carbonic anhydrase inhibitors.
Bioorg. Med. Chem. 21(6) , 1555-63, (2013) A series of new, halogen containing N-substituted 4-aminobenzenesulfonamides were synthesized by using superacid HF/SbF5 chemistry and investigated as inhibitors of several human carbonic anhydrase (h... |
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NMR studies of carbonic anhydrase-4-fluorobenzenesulfonamide complexes.
Biochemistry 27(12) , 4310-6, (1988) Binding of 4-fluorobenzenesulfonamide to human carbonic anhydrases I and II has been studied by proton, fluorine, and nitrogen-15 nuclear magnetic resonance spectroscopy. All three types of experiment... |
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Theoretical investigation on the molecular structure, Infrared, Raman and NMR spectra of para-halogen benzenesulfonamides, 4-XC6H4SO2NH2 (X= Cl, Br or F). Karabacak M, et al.
J. Mol. Struct. 919(1) , 26-33, (2009)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition Assay from Article 10.1002/cbic.200800704: "On-chip fragment-based approac...
Source: BindingDB
Target: N/A
External Id: BindingDB_4989_1
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Name: qHTS screening for TAG (triacylglycerol) accumulators in algae
Source: 11812
Target: N/A
External Id: FATTTLab-Algae-Lipid
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Name: Binding affinity bovine carbonic anhydrase assessed as broadening of compound signals...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2162860
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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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Name: Small-molecule inhibitors of ST2 (IL1RL1)
Source: 20881
Target: interleukin-1 receptor-like 1 isoform [homo sapiens]
External Id: ST2_IL33_Inhibitors_Primary_Screening_77700
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Name: Rescue cell viability in cybrid cells with a genetic mutation in complex 1 of the mit...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1315
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Name: Binding affinity to human MCL1 (173 to 329 aa) up to 1000 uM by differential scanning...
Source: ChEMBL
Target: Induced myeloid leukemia cell differentiation protein Mcl-1
External Id: CHEMBL3378545
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Name: Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
Source: 24983
Target: Huntingtin
External Id: KUHTS-Muma KU-CaM-Htt INH-01
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Name: Binding affinity to human MCL1 (173 to 329 aa) up to 1000 uM by isothermal titration ...
Source: ChEMBL
Target: Induced myeloid leukemia cell differentiation protein Mcl-1
External Id: CHEMBL3378544
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Name: MELAS cybrid survival enhancement under low glucose conditions
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1419
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-FLOUROBENZENESULFONAMIDE |
| 4-fluorobenzesulfonamide |
| p-fluorophenylsulfonamide |
| p-fluorobenzenesulfonamide |
| 4-fluorophenylsulfonamide |
| 4-FLUOROBENZENESULFONAMIDE |
| p-Fluorobenzenesulphonamide |
| 4-fluorobenzenesulphonamide |
| EINECS 206-946-2 |
| 4-(fluoro)benzenesulfonamide |
| MFCD00025384 |
| 4-fluorobenzensulfonamide |
| Benzenesulfonamide,p-fluoro |
| 4-fluorobenzene-1-sulfonamide |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the safety information for 4-Fluorobenzenesulfonamide? |
| A: Safety information for 4-Fluorobenzenesulfonamide: S26-S36-S45. |
| Q: What is the LogP of 4-Fluorobenzenesulfonamide? |
| A: LogP of 4-Fluorobenzenesulfonamide is 2.25420. |
| Q: What is the melting point of 4-Fluorobenzenesulfonamide? |
| A: Melting point of 4-Fluorobenzenesulfonamide is 124-127 °C(lit.). |
| Q: What are the downstream products of 4-Fluorobenzenesulfonamide? |
| A: Related downstream products(CAS) of 4-Fluorobenzenesulfonamide: 105899-98-7;312-52-7;3895-25-8;371-42-6;1525-81-1;30059-39-3;7062-49-9;727-36-6;98996-94-2;501682-72-0. |
| Q: What is the polar surface area (PSA) of 4-Fluorobenzenesulfonamide? |
| A: Polar surface area (PSA) of 4-Fluorobenzenesulfonamide is 68.54000. |
| Q: What is the boiling point of 4-Fluorobenzenesulfonamide? |
| A: Boiling point of 4-Fluorobenzenesulfonamide is 307.9ºC at 760mmHg. |
| Q: What are the upstream materials of 4-Fluorobenzenesulfonamide? |
| A: Related upstream materials(CAS) of 4-Fluorobenzenesulfonamide: 349-88-2;29083-05-4;462-06-6;10493-33-1;24850-33-7;76-63-1;368-85-4;349-89-3. |
| Q: What is the InChIKey of 4-Fluorobenzenesulfonamide? |
| A: InChIKey of 4-Fluorobenzenesulfonamide is LFLSATHZMYYIAQ-UHFFFAOYSA-N. |
| Q: What English synonyms does 4-Fluorobenzenesulfonamide have? |
| A: English synonyms of 4-Fluorobenzenesulfonamide: 4-FLOUROBENZENESULFONAMIDE, 4-fluorobenzesulfonamide, p-fluorophenylsulfonamide, p-fluorobenzenesulfonamide, 4-fluorophenylsulfonamide, 4-FLUOROBENZENESULFONAMIDE, p-Fluorobenzenesulphonamide, 4-fluorobenzenesulphonamide, EINECS 206-946-2, 4-(fluoro)benzenesulfonamide, MFCD00025384, 4-fluorobenzensulfonamide, Benzenesulfonamide,p-fluoro, 4-fluorobenzene-1-sulfonamide. |
| Q: What is the SMILES notation of 4-Fluorobenzenesulfonamide? |
| A: SMILES notation of 4-Fluorobenzenesulfonamide is NS(=O)(=O)c1ccc(F)cc1. |
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. |