4-Nitrobenzenesulfonamide
4-Nitrobenzenesulfonamide structure
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Common Name | 4-Nitrobenzenesulfonamide | ||
|---|---|---|---|---|
| CAS Number | 6325-93-5 | Molecular Weight | 202.18800 | |
| Density | 1.552 g/cm3 | Boiling Point | 417.8ºC at 760 mmHg | |
| Molecular Formula | C6H6N2O4S | Melting Point | 178-180 °C(lit.) | |
| MSDS | USA | Flash Point | 206.5ºC | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Summary: 4-Nitrobenzenesulfonamide (Chinese name: 4-硝基苯磺酰胺, CAS number: 6325-93-5), with molecular formula C6H6N2O4S and molecular weight 202.18800. Pale yellow to off-white crystalline powder,熔点178-180 °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-Nitrobenzenesulfonamide |
|---|---|
| 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 | 1.552 g/cm3 |
|---|---|
| Boiling Point | 417.8ºC at 760 mmHg |
| Melting Point | 178-180 °C(lit.) |
| Molecular Formula | C6H6N2O4S |
| Molecular Weight | 202.18800 |
| Flash Point | 206.5ºC |
| Exact Mass | 202.00500 |
| PSA | 114.36000 |
| LogP | 2.54650 |
| Index of Refraction | 1.611 |
| InChIKey | QWKKYJLAUWFPDB-UHFFFAOYSA-N |
| SMILES | NS(=O)(=O)c1ccc([N+](=O)[O-])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 | H315-H319-H335 |
| Precautionary Statements | P261-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-S37/39-S36/37/39-S22 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | DB2975000 |
| HS Code | 2935009090 |
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 10 | |
CAS#:98-74-8
CAS#:349-96-2
CAS#:49690-09-7
CAS#:23530-48-5
CAS#:89840-82-4
CAS#:100-41-4
CAS#:25309-64-2
CAS#:292638-84-7
CAS#:135-98-8
CAS#:109845-76-3
CAS#:496-14-0
CAS#:1393686-94-6
CAS#:493-05-0
CAS#:64880-92-8
CAS#:194156-25-7
CAS#:194156-28-0
CAS#:193904-48-2
CAS#:28860-08-4This 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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Engineering towards nitroreductase functionality in ene-reductase scaffolds.
ChemBioChem. 16(5) , 811-8, (2015) Nitroreductases (NRs) and ene-reductases (ERs) both utilize flavin mononucleotide cofactors but catalyze distinct reactions. NRs reduce nitroaromatics, whereas ERs reduce unsaturated C=C double bonds,... |
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Copper (I)-catalyzed asymmetric alkene aziridination mediated by PhI (OAc)< sub> 2</sub>: a facile one-pot procedure. Kwong HL, et al.
Tetrahedron Lett. 45(20) , 3965-3968, (2004)
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The 1: 2 and 1: 1 molecular complexes of N,N'-dibenzyl-4, 13-diaza-18-crown-6 with 4-nitrobenzenesulfonamide and dithiooxamide. Fonari MS, et al.
J. Mol. Struct. 794(1) , 110-114, (2006)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Substrate activity at recombinant Haemophilus influenzae Chloramphenicol nitroreducta...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4320927
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Name: Experimentally measured binding affinity data (Ki) for protein-ligand complexes deriv...
Source: Shanghai Institute of Organic Chemistry
Target: N/A
External Id: PDBbind-Ki for protein-ligand complexes
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Name: Stimulation of Amyloid beta (1 to 40) (unknown origin) fibril formation at Abeta:comp...
Source: ChEMBL
Target: Amyloid-beta precursor protein
External Id: CHEMBL3380194
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Name: Inhibitory concentration against human cystolic isozyme II of Carbonic anhydrase
Source: ChEMBL
Target: Carbonic anhydrase 2
External Id: CHEMBL828069
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Name: Binding affinity to bovine carbonic anhydrase 2
Source: ChEMBL
Target: Carbonic anhydrase 2
External Id: CHEMBL1647881
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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: Inhibition of Amyloid beta (1 to 42) (unknown origin) oligomer assembly at Abeta:comp...
Source: ChEMBL
Target: Amyloid-beta precursor protein
External Id: CHEMBL3380198
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Name: CHCl3-water partition coefficient, log P of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL3256049
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-Nitrobenzolesulfamide |
| 4-Nitrobenzenesulphonamide |
| Benzenesulfonamide,p-nitro |
| EINECS 228-691-6 |
| Benzenesulfonamide,4-nitro |
| p-Nitrophenylsulfonamide |
| 4-Nitro-benzenesulfonamide |
| MFCD00007937 |
| p-Nitrobenzene sulphonamide |
| 4-nitrophenylsulfonamide |
| p-Nitrobenzenesulfonamide |
| p-nosyl-NH2 |
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-Nitrobenzenesulfonamide? |
| A: Polar surface area (PSA) of 4-Nitrobenzenesulfonamide is 114.36000. |
| Q: What is the CAS number of 4-Nitrobenzenesulfonamide? |
| A: CAS number of 4-Nitrobenzenesulfonamide is 6325-93-5. |
| Q: What is the molecular formula of 4-Nitrobenzenesulfonamide? |
| A: Molecular formula of 4-Nitrobenzenesulfonamide is C6H6N2O4S. |
| Q: What English synonyms does 4-Nitrobenzenesulfonamide have? |
| A: English synonyms of 4-Nitrobenzenesulfonamide: 4-Nitrobenzolesulfamide, 4-Nitrobenzenesulphonamide, Benzenesulfonamide,p-nitro, EINECS 228-691-6, Benzenesulfonamide,4-nitro, p-Nitrophenylsulfonamide, 4-Nitro-benzenesulfonamide, MFCD00007937, p-Nitrobenzene sulphonamide, 4-nitrophenylsulfonamide, p-Nitrobenzenesulfonamide, p-nosyl-NH2. |
| Q: What is the molecular weight of 4-Nitrobenzenesulfonamide? |
| A: Molecular weight of 4-Nitrobenzenesulfonamide is 202.18800. |
| Q: What is the English name of 4-Nitrobenzenesulfonamide? |
| A: The English name of 4-Nitrobenzenesulfonamide is 4-Nitrobenzenesulfonamide. |
| Q: What is the SMILES notation of 4-Nitrobenzenesulfonamide? |
| A: SMILES notation of 4-Nitrobenzenesulfonamide is NS(=O)(=O)c1ccc([N+](=O)[O-])cc1. |
| Q: What is the InChIKey of 4-Nitrobenzenesulfonamide? |
| A: InChIKey of 4-Nitrobenzenesulfonamide is QWKKYJLAUWFPDB-UHFFFAOYSA-N. |
| Q: What are the downstream products of 4-Nitrobenzenesulfonamide? |
| A: Related downstream products(CAS) of 4-Nitrobenzenesulfonamide: 109845-76-3;496-14-0;1393686-94-6;349-96-2;493-05-0;64880-92-8;194156-25-7;194156-28-0;193904-48-2;28860-08-4. |
| Q: What is the safety information for 4-Nitrobenzenesulfonamide? |
| A: Safety information for 4-Nitrobenzenesulfonamide: S26-S37/39-S36/37/39-S22. |
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. |