5-Chlorobenzoxazole
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5-Chlorobenzoxazole
structure -
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CAS No:
17200-29-2
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Formula:
C7H4ClNO
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Chemical Name:
5-Chlorobenzoxazole
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Synonyms:
Benzoxazole,5-chloro-;5-Chlorobenzoxazole;NSC 24984;5-Chlorobenzo[d]oxazole
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CAS No:
Characteristics
26
2.2
1.377±0.06 g/cm3 (20 ºC 760 Torr)
40-41 °C @ Solvent: Ligroine
201-203 °C
90.7±19.8℃
1.5618 (estimate)
Safety Information
NONH for all modes of transport
3
22-36/37/38
26
DM4690000
Xn
P261-P305 + P351 + P338
H302-H315-H319-H335
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Chlorobenzoxazole Use and Manufacturing
General procedure: To a mixture of orthoester (1.1 mmol) and o-aminophenol or o-aminothiophenol (1 mmol) was added TSA (1 molpercent). The mixture was stirred at 80–90 °C for the appropriate time according to Table 4. After the completion of the reaction (as indicated by TLC), the mixture was diluted with chloroform (10 mL) and the catalyst was separated by filtration. Further purification was achieved by column chromatographyGeneral procedure: A mixture of 2-aminophenol derivative (5 mmol) and triethyl orthoformate (15 mL) was heated at reflux for 4 h. After cooling to room temperature, remained triethyl orthoformate was removed under reduced pressure and the residue was purified by column chromatography on silica gel.General procedure: A solution of substituted 2-aminophenol (20 mmol) in triethyl orthoformate (30 mL) was heated to 150°C for 8 h under argon. The mixture was cooled to room temperature and the triethyl orthoformate was removed by distillation under reduced pressure. The resulting residue was purified by silica gel column chromatography to afford substituted benzoxazole.2-amino-4-chloro phenol (50 g, 0.349 moles), Trimethyl orthoformate (111 g, 1.048 moles), sodium sulphate (9.93 g, 0.069 moles) and THF (500 mL) were charged in round bottom flask at room temperature (RT) under inert atmosphere.
Computed Properties
Molecular Weight:153.56
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Exact Mass:152.9981414
Monoisotopic Mass:152.9981414
Topological Polar Surface Area:26
Heavy Atom Count:10
Complexity:131
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 5-Chlorobenzoxazole
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