Benzene,1-chloro-4-[(phenylsulfinyl)methyl]
![Benzene,1-chloro-4-[(phenylsulfinyl)methyl] Structure](https://image.chemsrc.com/caspic/266/17530-80-2.png)
Benzene,1-chloro-4-[(phenylsulfinyl)methyl] structure
|
Common Name | Benzene,1-chloro-4-[(phenylsulfinyl)methyl] | ||
|---|---|---|---|---|
| CAS Number | 17530-80-2 | Molecular Weight | 250.74400 | |
| Density | 1.33g/cm3 | Boiling Point | 424.4ºC at 760mmHg | |
| Molecular Formula | C13H11ClOS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 210.5ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-(benzenesulfinylmethyl)-4-chlorobenzene |
|---|---|
| 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 | 1.33g/cm3 |
|---|---|
| Boiling Point | 424.4ºC at 760mmHg |
| Molecular Formula | C13H11ClOS |
| Molecular Weight | 250.74400 |
| Flash Point | 210.5ºC |
| Exact Mass | 250.02200 |
| PSA | 36.28000 |
| LogP | 4.51350 |
| Vapour Pressure | 5.14E-07mmHg at 25°C |
| Index of Refraction | 1.662 |
| InChIKey | DMXKWWLFOPKKAW-UHFFFAOYSA-N |
| SMILES | O=S(Cc1ccc(Cl)cc1)c1ccccc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2930909090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~81%
Benzene,1-chlor... CAS#:17530-80-2 |
| Literature: Jia, Tiezheng; Bellomo, Ana; Baina, Kawtar El; Dreher, Spencer D.; Walsh, Patrick J. Journal of the American Chemical Society, 2013 , vol. 135, # 10 p. 3740 - 3743 |
|
~%
Benzene,1-chlor... CAS#:17530-80-2 |
| Literature: Clark et al. Journal of the Science of Food and Agriculture, 1957 , vol. 8, p. 566,567 |
|
~%
Benzene,1-chlor... CAS#:17530-80-2 |
| Literature: Clark et al. Journal of the Science of Food and Agriculture, 1957 , vol. 8, p. 566,567 |
|
~%
Benzene,1-chlor... CAS#:17530-80-2 |
| Literature: Clark et al. Journal of the Science of Food and Agriculture, 1957 , vol. 8, p. 566,567 |
|
~%
Benzene,1-chlor... CAS#:17530-80-2 |
| Literature: Nishio Chemical and pharmaceutical bulletin, 1967 , vol. 15, # 11 p. 1669 - 1676 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
|
|
Name: High throughput screen for small molecule inhibitors of a hypoxia-regulated fluoresce...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1149-MLP
|
|
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
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Phenyl-4-chlor-benzyl-sulfoxid |
| p-Chlorbenzyl-phenyl-sulfoxid |
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 1-(benzenesulfinylmethyl)-4-chlorobenzene? |
| A: Polar surface area (PSA) of 1-(benzenesulfinylmethyl)-4-chlorobenzene is 36.28000. |
| Q: What is the CAS number of 1-(benzenesulfinylmethyl)-4-chlorobenzene? |
| A: CAS number of 1-(benzenesulfinylmethyl)-4-chlorobenzene is 17530-80-2. |
| Q: What are the upstream materials of 1-(benzenesulfinylmethyl)-4-chlorobenzene? |
| A: Related upstream materials(CAS) of 1-(benzenesulfinylmethyl)-4-chlorobenzene: 106-39-8;1193-82-4;7693-30-3;930-69-8;104-83-6;108-98-5. |
| Q: What English synonyms does 1-(benzenesulfinylmethyl)-4-chlorobenzene have? |
| A: English synonyms of 1-(benzenesulfinylmethyl)-4-chlorobenzene: Phenyl-4-chlor-benzyl-sulfoxid, p-Chlorbenzyl-phenyl-sulfoxid. |
| Q: What is the boiling point of 1-(benzenesulfinylmethyl)-4-chlorobenzene? |
| A: Boiling point of 1-(benzenesulfinylmethyl)-4-chlorobenzene is 424.4ºC at 760mmHg. |
| Q: What is the LogP of 1-(benzenesulfinylmethyl)-4-chlorobenzene? |
| A: LogP of 1-(benzenesulfinylmethyl)-4-chlorobenzene is 4.51350. |
| Q: What is the Chinese name of 17530-80-2? |
| A: Chinese name of 17530-80-2 is 17530-80-2. |
| Q: What is the InChIKey of 1-(benzenesulfinylmethyl)-4-chlorobenzene? |
| A: InChIKey of 1-(benzenesulfinylmethyl)-4-chlorobenzene is DMXKWWLFOPKKAW-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 1-(benzenesulfinylmethyl)-4-chlorobenzene? |
| A: SMILES notation of 1-(benzenesulfinylmethyl)-4-chlorobenzene is O=S(Cc1ccc(Cl)cc1)c1ccccc1. |
| Q: What is the molecular formula of 1-(benzenesulfinylmethyl)-4-chlorobenzene? |
| A: Molecular formula of 1-(benzenesulfinylmethyl)-4-chlorobenzene is C13H11ClOS. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |