4-nitrophenyl methyl sulfide structure
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Common Name | 4-nitrophenyl methyl sulfide | ||
|---|---|---|---|---|
| CAS Number | 701-57-5 | Molecular Weight | 169.201 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 289.4±23.0 °C at 760 mmHg | |
| Molecular Formula | C7H7NO2S | Melting Point | 66-69 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 128.8±22.6 °C | |
| Name | 4-Nitrothioanisole |
|---|---|
| Synonym | More Synonyms |
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 289.4±23.0 °C at 760 mmHg |
| Melting Point | 66-69 °C(lit.) |
| Molecular Formula | C7H7NO2S |
| Molecular Weight | 169.201 |
| Flash Point | 128.8±22.6 °C |
| Exact Mass | 169.019745 |
| PSA | 71.12000 |
| LogP | 2.69 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.602 |
| InChIKey | NEZGPRYOJVPJKL-UHFFFAOYSA-N |
| SMILES | CSc1ccc([N+](=O)[O-])cc1 |
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi |
| Risk Phrases | R20/21/22 |
| Safety Phrases | S22-S36/37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2930909090 |
| Precursor 10 | |
|---|---|
| DownStream 10 | |
| 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% |
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The proximate coupling constant, 5 J (H, CH3), and the torsional mobility of the thiomethyl group in some thioanisole derivatives. Schaefer T, et al.
Can. J. Chem. 69(4) , 620-624, (1991)
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Catalytic hydrogenation of sulfur-containing nitrobenzene over Pd/C catalysts: In situ sulfidation of Pd/C for the preparation of Pd x S y catalysts. Zhang Q, et al.
Appl. Catal. A Gen. 497 , 17-21, (2015)
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Photoelectrochemical reduction of meta-halonitrobenzenes and related species. Robert AW and George WJ.
J. Chem. Soc., Perkin Trans. II 8 , 1673-1677, (1995)
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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Name: Antibacterial activity against Staphylococcus aureus ATCC 25923 after 24 hrs by seria...
Source: ChEMBL
Target: Staphylococcus aureus
External Id: CHEMBL964495
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| 4-nitrophenyl methyl sulfide |
| MFCD00010868 |
| 1-methylsulfanyl-4-nitrobenzene |
| Methyl 4-nitrophenyl sulphide |
| Methyl 4-nitrophenyl sulfide |
| 1-(Methylsulfanyl)-4-nitrobenzene |