5-Chlorobenzooxazole-2-thiol
- CAS No.
- 22876-19-3
- Chemical Name:
- 5-Chlorobenzooxazole-2-thiol
- Synonyms
- 5-CHLOROBENZO[D]OXAZOLE-2-THIOL;5-CHLORO-2-MERCAPTOBENZOXAZOLE;5-Chlorobenzo[d]oxazole-2(3H)-thione;Nsc26187;Suvorexant Intermediate IV;5-Chloro-2-benzoxazolethiol;5-Chlorobenzooxazole-2-thiol;2-Benzoxazolethiol, 5-chloro-;5-Chlorobenzo[d]oxazole-2(3H);5-chloro-2-mercapto-benzoxazol
- CBNumber:
- CB5197565
- Molecular Formula:
- C7H4ClNOS
- Molecular Weight:
- 185.63
- MDL Number:
- MFCD00175241
- MOL File:
- 22876-19-3.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Melting point | 280-285 °C(lit.) |
|---|---|
| Boiling point | 278.7±42.0 °C(Predicted) |
| Density | 1.57±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| pka | 10.45±0.20(Predicted) |
| Appearance | Light yellow to brown Solid |
| InChI | 1S/C7H4ClNOS/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,(H,9,11) |
| InChIKey | BOBIZYYFYLLRAH-UHFFFAOYSA-N |
| SMILES | Sc1nc2cc(Cl)ccc2o1 |
| CAS DataBase Reference | 22876-19-3(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
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|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H302-H315-H319-H335 | |||||||||
| Precautionary statements | P261-P305+P351+P338-P280a-P304+P340-P405-P501a | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 22-36/37/38 | |||||||||
| Safety Statements | 26-36 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | DM4760000 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 2934999090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
|||||||||
| Toxicity | mouse,LD50,intraperitoneal,120mg/kg (120mg/kg),Medicinal Chemistry: A Series of Monographs. Vol. 4(1), Pg. 337, 1964. | |||||||||
| NFPA 704 |
|
5-Chlorobenzooxazole-2-thiol price More Price(53)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 538426 | 5-Chloro-2-mercaptobenzoxazole 97% | 22876-19-3 | 5g | $84.8 | 2022-05-15 | Buy |
| Usbiological | 267430 | 5-Chloro-2-mercaptobenzoxazole Asreported | 22876-19-3 | 25g | $326 | 2026-06-03 | Buy |
| Usbiological | 267430 | 5-Chloro-2-mercaptobenzoxazole Asreported | 22876-19-3 | 50g | $439 | 2026-06-03 | Buy |
| Usbiological | 267430 | 5-Chloro-2-mercaptobenzoxazole Asreported | 22876-19-3 | 100g | $609 | 2026-06-03 | Buy |
| Usbiological | 267430 | 5-Chloro-2-mercaptobenzoxazole Asreported | 22876-19-3 | 250g | $907 | 2026-06-03 | Buy |
5-Chlorobenzooxazole-2-thiol Chemical Properties, Uses, Production
Uses
5-Chloro-2-mercaptobenzoxazole may be used in the synthesis of 5-chloro-2-(4-methyl-1-piperazinyl)benzoxazole and 5-chloro-2-morpholin-4-yl-1,3-benzoxazole.
General Description
5-Chloro-2-mercaptobenzoxazole can be synthesized by reacting amino-4-chlorophenol, potassium hydroxide and carbon disulfide in ethanol.
Synthesis
140-89-6
95-85-2
22876-19-3
Synthesis of compound 19: A mixture of potassium ethylxanthate (13.4 g, 84.0 mmol) and 4-chloro-2-aminophenol (10 g, 69.6 mmol) was dissolved in anhydrous ethanol (200 mL). The reaction mixture was stirred under reflux conditions overnight. After completion of the reaction, it was cooled to room temperature and the solvent was removed by evaporation under reduced pressure. The residue was dissolved in water (200 mL) and the pH was adjusted with acetic acid (HOAc) to 5. A solid product was precipitated, filtered and dried to afford 5-chloro-2-mercaptobenzoxazole (12.8 g, 99.1% yield).
References
[1] Patent: US2011/224269, 2011, A1. Location in patent: Page/Page column 21
[2] Patent: CN106478537, 2017, A. Location in patent: Paragraph 0025; 0026; 0037; 0038; 0048; 0049; 0062-0064
[3] Patent: US2016/168138, 2016, A1. Location in patent: Paragraph 0142-0143
[4] Patent: CN106632121, 2017, A. Location in patent: Paragraph 0031; 0032
[5] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 3, p. 907 - 911
5-Chlorobenzooxazole-2-thiol Preparation Products And Raw materials
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Wuhan Chemwish Technology Co., Ltd | 86-027-67849912 | sales@chemwish.com | China | 35884 | 56 |
| JinYan Chemicals(ShangHai) Co.,Ltd. | 13817811078 | sales@jingyan-chemical.com | China | 9963 | 60 |
| Shanghai Longsheng chemical Co.,Ltd. | 58099637 13585536065 | sales@shlschem.com | China | 9880 | 59 |
| Nanjing Chemlin Chemical Co., Ltd | 025-83697070 13770331960 | info@chemlin.com.cn | China | 16305 | 64 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| China DongFan Chemical Co.,LTD | 86-0571-85151182 | China | 5681 | 66 | |
| Daicel Chiral Technologies (China)CO.,LTD | 021-50460086-9 15921403865 | han_yajun@dctc.daicel.com | China | 7909 | 65 |
| chenyue Chemicals Co., Ltd. | +86-0519-85500896 | benzoxazolone@163.com | China | 178 | 58 |
View Latest Price from 5-Chlorobenzooxazole-2-thiol manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2021-07-13 | 5-Chlorobenzooxazole-2-thiol
22876-19-3
|
$10.00-15.00 | 1KG | 99%+ HPLC | Zhuozhou Wenxi import and Export Co., Ltd | ||
 |
2021-07-10 | 5-Chlorobenzooxazole-2-thiol
22876-19-3
|
$10.00-15.00 | 1KG | 99%+ HPLC | Zhuozhou Wenxi import and Export Co., Ltd | ||
 |
2019-07-06 | 5-Chlorobenzooxazole-2-thiol
22876-19-3
|
$8.00 | 1kg | 99% | 10tons | Career Henan Chemical Co |
-
- 5-Chlorobenzooxazole-2-thiol
22876-19-3
- $10.00-15.00
- 99%+ HPLC
- Zhuozhou Wenxi import and Export Co., Ltd
-
- 5-Chlorobenzooxazole-2-thiol
22876-19-3
- $10.00-15.00
- 99%+ HPLC
- Zhuozhou Wenxi import and Export Co., Ltd
-
- 5-Chlorobenzooxazole-2-thiol
22876-19-3
- $8.00
- 99%
- Career Henan Chemical Co
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