5-(4-chloro-3-nitro-phenyl)-1,3,4-oxathiazol-2-one

Modify Date: 2025-09-25 20:26:52

5-(4-chloro-3-nitro-phenyl)-1,3,4-oxathiazol-2-one Structure
5-(4-chloro-3-nitro-phenyl)-1,3,4-oxathiazol-2-one structure
Common Name 5-(4-chloro-3-nitro-phenyl)-1,3,4-oxathiazol-2-one
CAS Number 52118-29-3 Molecular Weight 258.63800
Density 1.82g/cm3 Boiling Point 380.7ºC at 760 mmHg
Molecular Formula C8H3ClN2O4S Melting Point N/A
MSDS N/A Flash Point 184.1ºC

 Names

Name 5-(4-chloro-3-nitrophenyl)-1,3,4-oxathiazol-2-one

 Chemical & Physical Properties

Density 1.82g/cm3
Boiling Point 380.7ºC at 760 mmHg
Molecular Formula C8H3ClN2O4S
Molecular Weight 258.63800
Flash Point 184.1ºC
Exact Mass 257.95000
PSA 117.16000
LogP 2.84810
Index of Refraction 1.746
InChIKey NEDUKRBZMUKYGR-UHFFFAOYSA-N
SMILES O=c1oc(-c2ccc(Cl)c([N+](=O)[O-])c2)ns1

 Synthetic Route

~%

5-(4-chloro-3-nitro-phenyl)-1,3,4-oxathiazol-2-one Structure

5-(4-chloro-3-n...

CAS#:52118-29-3

Literature: Senning,A.; Rasmussen,J.S. Acta Chemica Scandinavica (1947-1973), 1973 , vol. 27, # 6 p. 2161 - 2170

 Precursor & DownStream

Precursor  2

DownStream  0

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