BENZENETHIOSULFONIC ACID S-PHENYL ESTER
Synonym(s):Benzenethiosulfonic acid S-phenyl ester
- CAS NO.：1212-08-4
- Empirical Formula: C12H10O2S2
- Molecular Weight: 250.34
- MDL number: MFCD00014738
- EINECS: 214-919-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-04-23 13:52:06
What is BENZENETHIOSULFONIC ACID S-PHENYL ESTER?
The Uses of BENZENETHIOSULFONIC ACID S-PHENYL ESTER
S-Phenyl Benzenethiosulfonate is an high potency antifungal thiosulfonate that were tested against Aspergillus niger and Aspergillus flavus.
Synthesis Reference(s)
Journal of the American Chemical Society, 99, p. 4405, 1977 DOI: 10.1021/ja00455a032
Tetrahedron Letters, 10, p. 1239, 1969
Purification Methods
Recrystallise the disulfoxide from EtOH or MeOH. It has also been purified from phenylsulfide impurities by dissolving in CHCl3, washing with aqueous saturated NaHCO3, drying (Na2SO4), filtering, evaporating the filtrate, and the residual oil is passed through a silica gel column (600g) and eluted with hexane/*C6H6 (1L, 4:1, eluting PhSSPh) then *C6H6 (1L) which elutes PhSSO2Ph. [Trost & Massiot J Am Chem Soc 99 4405 1977, Knoevenagel & R.mer Chem Ber 56 215 1923, Beilstein 11 IV 220.]
Properties of BENZENETHIOSULFONIC ACID S-PHENYL ESTER
| Melting point: | 36-53 °C(lit.) |
| Boiling point: | 125 °C(Press: 0.01 Torr) |
| Density | 1.35±0.1 g/cm3(Predicted) |
| Flash point: | >230 °F |
| storage temp. | -20°C Freezer |
| solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Very Slightly) |
| form | Solid |
| color | Off-White |
| BRN | 1530592 |
| EPA Substance Registry System | Benzenesulfonothioic acid, S-phenyl ester (1212-08-4) |
Safety information for BENZENETHIOSULFONIC ACID S-PHENYL ESTER
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H312:Acute toxicity,dermal H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H332:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P330:Rinse mouth. P362:Take off contaminated clothing and wash before reuse. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P501:Dispose of contents/container to..… |
Computed Descriptors for BENZENETHIOSULFONIC ACID S-PHENYL ESTER
| InChIKey | ATKJLMWDXASAJA-UHFFFAOYSA-N |
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