1-(benzenesulfinylmethyl)-4-nitro-benzene
1-(benzenesulfinylmethyl)-4-nitro-benzene structure
|
Common Name | 1-(benzenesulfinylmethyl)-4-nitro-benzene | ||
|---|---|---|---|---|
| CAS Number | 17530-84-6 | Molecular Weight | 261.29600 | |
| Density | 1.38g/cm3 | Boiling Point | 491.1ºC at 760 mmHg | |
| Molecular Formula | C13H11NO3S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 250.8ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-(benzenesulfinylmethyl)-4-nitrobenzene |
|---|---|
| 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 | 1.38g/cm3 |
|---|---|
| Boiling Point | 491.1ºC at 760 mmHg |
| Molecular Formula | C13H11NO3S |
| Molecular Weight | 261.29600 |
| Flash Point | 250.8ºC |
| Exact Mass | 261.04600 |
| PSA | 82.10000 |
| LogP | 4.29150 |
| Vapour Pressure | 2.6E-09mmHg at 25°C |
| Index of Refraction | 1.674 |
| InChIKey | JUMCUNXWSXBYDI-UHFFFAOYSA-N |
| SMILES | O=[N+]([O-])c1ccc(CS(=O)c2ccccc2)cc1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~97%
1-(benzenesulfi... CAS#:17530-84-6 |
| Literature: Fazaeli, Razieh; Aliyan, Hamid; Moghadam, Majid; Masoudinia, Mona Journal of Molecular Catalysis A: Chemical, 2013 , vol. 374-375, p. 46 - 52 |
|
~56%
1-(benzenesulfi... CAS#:17530-84-6 |
| Literature: Kersten, Mathias; Wenschuh, Eberhard Phosphorus, Sulfur and Silicon and the Related Elements, 1993 , vol. 80, # 1-4 p. 81 - 84 |
|
~%
1-(benzenesulfi... CAS#:17530-84-6
Learn More
|
| Literature: Makosza, M.; Golinski, J.; Pankowski, J. Synthesis, 1983 , # 1 p. 40 - 42 |
|
~%
1-(benzenesulfi... CAS#:17530-84-6 |
| Literature: Nishio Chemical and pharmaceutical bulletin, 1967 , vol. 15, # 11 p. 1669 - 1676 |
![Benzene, 1-nitro-2-[(phenylsulfinyl)methyl] structure](https://image.chemsrc.com/caspic/271/85462-07-3.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 1 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
|
|
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
|
|
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
|
|
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
|
|
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
|
|
Name: Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
Source: Broad Institute
Target: N/A
External Id: 2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
|
|
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
|
|
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
|
|
Name: qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
Source: NCGC
Target: apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id: AMA1100
|
|
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id: ABHD4_INH_FP_1536_1X%INH PRUN
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| p-nitrobenzyl phenyl sulfoxide |
| (4-Nitro-benzyl)-phenyl-sulfoxid |
| p-Nitrobenzyl-phenyl-sulfoxid |
| Phenyl-4-nitrobenzyl-sulfoxid |
| 4-nitrobenzyl phenyl sulfoxide |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the Chinese name of 17530-84-6? |
| A: Chinese name of 17530-84-6 is 17530-84-6. |
| Q: What is the polar surface area (PSA) of 1-(benzenesulfinylmethyl)-4-nitrobenzene? |
| A: Polar surface area (PSA) of 1-(benzenesulfinylmethyl)-4-nitrobenzene is 82.10000. |
| Q: What is the English name of 1-(benzenesulfinylmethyl)-4-nitrobenzene? |
| A: The English name of 1-(benzenesulfinylmethyl)-4-nitrobenzene is 1-(benzenesulfinylmethyl)-4-nitrobenzene. |
| Q: What is the LogP of 1-(benzenesulfinylmethyl)-4-nitrobenzene? |
| A: LogP of 1-(benzenesulfinylmethyl)-4-nitrobenzene is 4.29150. |
| Q: What are the upstream materials of 1-(benzenesulfinylmethyl)-4-nitrobenzene? |
| A: Related upstream materials(CAS) of 1-(benzenesulfinylmethyl)-4-nitrobenzene: 7703-38-0;28715-70-0;100-11-8;7205-94-9;98-95-3;100-14-1;108-98-5. |
| Q: What is the boiling point of 1-(benzenesulfinylmethyl)-4-nitrobenzene? |
| A: Boiling point of 1-(benzenesulfinylmethyl)-4-nitrobenzene is 491.1ºC at 760 mmHg. |
| Q: What is the InChIKey of 1-(benzenesulfinylmethyl)-4-nitrobenzene? |
| A: InChIKey of 1-(benzenesulfinylmethyl)-4-nitrobenzene is JUMCUNXWSXBYDI-UHFFFAOYSA-N. |
| Q: What are the downstream products of 1-(benzenesulfinylmethyl)-4-nitrobenzene? |
| A: Related downstream products(CAS) of 1-(benzenesulfinylmethyl)-4-nitrobenzene: 7703-38-0. |
| Q: What is the molecular weight of 1-(benzenesulfinylmethyl)-4-nitrobenzene? |
| A: Molecular weight of 1-(benzenesulfinylmethyl)-4-nitrobenzene is 261.29600. |
| Q: What is the CAS number of 1-(benzenesulfinylmethyl)-4-nitrobenzene? |
| A: CAS number of 1-(benzenesulfinylmethyl)-4-nitrobenzene is 17530-84-6. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |