Benzenethiol, 3,5-difluoro- (9CI)
- CAS No.
- 99389-26-1
- Chemical Name:
- Benzenethiol, 3,5-difluoro- (9CI)
- Synonyms
- 3,5-difluoro-benzenethiol;1,3-Difluoro-5-thiobenzene;BENZENETHIOL, 3,5-DIFLUORO-;Benzenethiol, 3,5-difluoro- (9CI)
- CBNumber:
- CB51053556
- Molecular Formula:
- C6H4F2S
- Molecular Weight:
- 146.16
- MDL Number:
- MFCD06201795
- MOL File:
- 99389-26-1.mol
| Product description | Number | Pack Size | Price |
| 3,5-Difluorothiophenol | D452080 | 50mg | $45 |
| 3,5-Difluorothiophenol 98% | 5661-3-05 | 5G | $61 |
| 3,5-DIFLUOROTHIOPHENOL 95.00% | HCH0104180 | 1G | $137.55 |
| 3,5-Difluorothiophenol 98% | 5661-3-05 | 25g | $264 |
| 3,5-Difluorothiophenol | V0288 | 25g | $321 |
| More product size | |||
| Melting point | 88-90 °C(Solv: cyclohexane (110-82-7)) |
|---|---|
| Boiling point | 155.8±20.0 °C(Predicted) |
| Density | 1.323±0.06 g/cm3(Predicted) |
| Flash point | 53° |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| solubility | Chloroform (Sparingly), Methanol (Slightly) |
| pka | 5.09±0.11(Predicted) |
| form | liquid |
| color | Clear, almost colourless |
| Stability | Volatile |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS06 |
|---|---|
| Signal word | Danger |
| Hazard statements | H301+H311+H331-H315-H319 |
| Precautionary statements | P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405 |
| RIDADR | UN1993 |
| HazardClass | 3 |
| HS Code | 2930909899 |
| Limited Quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
Benzenethiol, 3,5-difluoro- (9CI) price More Price(18)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| TRC | D452080 | 3,5-Difluorothiophenol | 99389-26-1 | 50mg | $45 | 2021-12-16 | Buy |
| SynQuest Laboratories | 5661-3-05 | 3,5-Difluorothiophenol 98% | 99389-26-1 | 5G | $61 | 2021-12-16 | Buy |
| American Custom Chemicals Corporation | HCH0104180 | 3,5-DIFLUOROTHIOPHENOL 95.00% | 99389-26-1 | 1G | $137.55 | 2021-12-16 | Buy |
| SynQuest Laboratories | 5661-3-05 | 3,5-Difluorothiophenol 98% | 99389-26-1 | 25g | $264 | 2021-12-16 | Buy |
| AK Scientific | V0288 | 3,5-Difluorothiophenol | 99389-26-1 | 25g | $321 | 2021-12-16 | Buy |
Benzenethiol, 3,5-difluoro- (9CI) Chemical Properties,Uses,Production
Uses
3,5-Difluorothiophenol could be a useful reagent for the design and synthesis of new selective tropomyosin receptor kinase inhibitors
Synthesis
913091-87-9
99389-26-1
Ethyl [(3,5-difluorophenyl)thioalkyl]thioformate (10 g, 42.68 mmol, 1.00 eq.) was dissolved in ethanol (100 mL) under nitrogen protection. Potassium hydroxide solution (9.6 g, 171.11 mmol, dissolved in 10 mL of water) was added dropwise over 5 min with stirring at room temperature. The reaction mixture was heated to reflux for 2.5 hours. After completion of the reaction, it was cooled to room temperature and the mixture was concentrated under vacuum. The residue was diluted with 200 mL of water and the resulting solution was washed with ethyl acetate (3 x 50 mL). The aqueous layer was separated and zinc powder (0.8 g) was added and the pH was adjusted to 5 with concentrated hydrochloric acid at 0-10 °C. Subsequently, the reaction solution was extracted with ethyl acetate (3 x 100 mL). The organic layers were combined, washed with brine (3 x 100 mL), dried over anhydrous sodium sulfate, and concentrated in vacuum to give the brown oily product 3,5-difluorothiophenol (5.0 g, 80% yield). detected by TLC (petroleum ether/ethyl acetate = 10:1): rf = 0.45.
References
[1] Patent: WO2013/127267, 2013, A1. Location in patent: Page/Page column 105; 106
[2] Journal of Medicinal Chemistry, 1997, vol. 40, # 15, p. 2363 - 2373
[3] Bioorganic and Medicinal Chemistry Letters, 2005, vol. 15, # 9, p. 2225 - 2230
Benzenethiol, 3,5-difluoro- (9CI) Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shanghai Daken Advanced Materials Co.,Ltd | +86-2158073036 | info@dakenam.com | China | 13444 | 58 |
| Changzhou Ansciep Chemical Co., Ltd. | +86 519 86305871 | sales@ansciepchem.com | CHINA | 4241 | 58 |
| CONIER CHEM AND PHARMA LIMITED | +8618523575427 | sales@conier.com | China | 49975 | 58 |
| Fuxin Pharmaceutical | +86-021-021-50872116 +8613122107989 | contact@fuxinpharm.com | China | 10035 | 58 |
| Win-Win chemical CO., Limited | +86-0086-577-64498589 +86-15355981851 | sales@win-winchemical.com | China | 14360 | 58 |
| Dayang Chem (Hangzhou) Co.,Ltd. | +86-0571-88938639 +8617705817739 | info@dycnchem.com | China | 52846 | 58 |
| CD Chemical Group Limited | +8615986615575 | info@codchem.com | China | 20342 | 58 |
| Hefei TNJ Chemical Industry Co.,Ltd. | +86-0551-65418684 +8618949823763 | sales@tnjchem.com | China | 25356 | 58 |
| Huadong Medicine (Xi'an)Bodyguard Pharmaceutical Co.,Ltd. | +86-029-86185165 +8618629664246 | guoyuan@eastchinapharm.com | China | 1615 | 58 |
| HANGZHOU LEAP CHEM CO., LTD. | +86-571-87711850 | market18@leapchem.com | China | 24727 | 58 |
