5-Chlorobenzooxazole-2-thiol
- Product Name
- 5-Chlorobenzooxazole-2-thiol
- CAS No.
- 22876-19-3
- Chemical Name
- 5-Chlorobenzooxazole-2-thiol
- Synonyms
- 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;5-Chloro-2-mercaptobenzoxazine;5-CHLORO-2-MERCAPTOBENZOXAZOLE;5-Chloro-2-thioxobenzoxazoline
- CBNumber
- CB5197565
- Molecular Formula
- C7H4ClNOS
- Formula Weight
- 185.63
- MOL File
- 22876-19-3.mol
5-Chlorobenzooxazole-2-thiol Property
- 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
- InChIKey
- BOBIZYYFYLLRAH-UHFFFAOYSA-N
- CAS DataBase Reference
- 22876-19-3(CAS DataBase Reference)
Safety
- Hazard Codes
- Xn
- Risk Statements
- 22-36/37/38
- Safety Statements
- 26-36
- WGK Germany
- 3
- RTECS
- DM4760000
- HazardClass
- IRRITANT
- HS Code
- 2934999090
- Toxicity
- mouse,LD50,intraperitoneal,120mg/kg (120mg/kg),Medicinal Chemistry: A Series of Monographs. Vol. 4(1), Pg. 337, 1964.
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405Store locked up.
N-Bromosuccinimide Price
- Product number
- 538426
- Product name
- 5-Chloro-2-mercaptobenzoxazole
- Purity
- 97%
- Packaging
- 5g
- Price
- $84.8
- Updated
- 2022/05/15
- Product number
- C429118
- Product name
- 5-Chlorobenzo[d]oxazole-2(3H)-thione
- Packaging
- 10g
- Price
- $60
- Updated
- 2021/12/16
- Product number
- C429118
- Product name
- 5-Chlorobenzo[d]oxazole-2(3H)-thione
- Packaging
- 5g
- Price
- $45
- Updated
- 2021/12/16
- Product number
- J96612
- Product name
- 5-Chlorobenzo[d]oxazole-2-thiol
- Packaging
- 25g
- Price
- $49
- Updated
- 2021/12/16
- Product number
- FC05475
- Product name
- 5-Chloro-2-mercaptobenzoxazole
- Packaging
- 25g
- Price
- $55
- Updated
- 2021/12/16
5-Chlorobenzooxazole-2-thiol Chemical Properties,Usage,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
Raw materials
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View Lastest Price from 5-Chlorobenzooxazole-2-thiol manufacturers
- Product
- 5-Chlorobenzooxazole-2-thiol 22876-19-3
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-07-10
- Product
- 5-Chlorobenzooxazole-2-thiol 22876-19-3
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-07-09
- Product
- 5-Chlorobenzooxazole-2-thiol 22876-19-3
- Price
- US $8.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 10tons
- Release date
- 2018-12-24