4-NITROTHIOANISOLE
Synonym(s):Methyl-4-nitrophenyl sulfide
- CAS NO.：701-57-5
- Empirical Formula: C7H7NO2S
- Molecular Weight: 169.2
- MDL number: MFCD00010868
- EINECS: 677-868-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-12-24 19:27:57
What is 4-NITROTHIOANISOLE?
Chemical properties
Yellow solid
The Uses of 4-NITROTHIOANISOLE
4-Nitrothioanisole may be used to synthesize 4-nitrothioanisole sulfoxide and methyl 4-nitrophenyl sulfoxide.
Synthesis Reference(s)
Tetrahedron Letters, 24, p. 2575, 1983 DOI: 10.1016/S0040-4039(00)81985-1
General Description
4-Nitrothioanisole in acetone-d6 solution exhibits twofold barrier to rotation about the Csp2-S bond as 16.1±1.5kJ/mol. 4-Nitrothioanisole undergoes hydrogenation in the presence of sulfided Pd/C catalysts.
Properties of 4-NITROTHIOANISOLE
| Melting point: | 66-69 °C (lit.)
68-72 °C (lit.) |
| Boiling point: | 140 °C / 2mmHg |
| Density | 1.2391 |
| refractive index | 1.6401 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | soluble in Toluene |
| form | powder to crystal |
| color | Light yellow to Yellow to Orange |
| Sensitive | Stench |
| BRN | 1817928 |
| CAS DataBase Reference | 701-57-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Methyl 4-nitrophenyl sulphide(701-57-5) |
Safety information for 4-NITROTHIOANISOLE
| Signal word | Warning |
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H311:Acute toxicity,dermal H332:Acute toxicity,inhalation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P405:Store locked up. |
Computed Descriptors for 4-NITROTHIOANISOLE
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