538426
5-Chloro-2-mercaptobenzoxazole
97%
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About This Item
Empirical Formula (Hill Notation):
C7H4ClNOS
CAS Number:
Molecular Weight:
185.63
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
Assay:
97%
InChI
1S/C7H4ClNOS/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,(H,9,11)
SMILES string
Sc1nc2cc(Cl)ccc2o1
InChI key
BOBIZYYFYLLRAH-UHFFFAOYSA-N
assay
97%
mp
280-285 °C (lit.)
General description
5-Chloro-2-mercaptobenzoxazole can be synthesized by reacting amino-4-chlorophenol, potassium hydroxide and carbon disulfide in ethanol.
Application
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.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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A new 5-HT3 receptor ligand. II. Structure-activity analysis of 5-HT3 receptor agonist action in the gut
Yamada M, et al.
Chemical & Pharmaceutical Bulletin, 46.3, 445-451 (1998)
A mild and efficient one-pot synthesis of 2-aminated benzoxazoles and benzothiazoles
Stewart GW, et al.
The Journal of Organic Chemistry, 74.8, 3229-3231 (2009)
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