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CAS Number: 31770-95-3
5-(methylsulfonyl)-6-nitrobenzo[d]oxazol-2(3H)-one

Structure

5-(methylsulfonyl)-6-nitrobenzo[d]oxazol-2(3H)-one
Name: 5-(methylsulfonyl)-6-nitrobenzo[d]oxazol-2(3H)-one
Synonyms:
General Information
Product Number: 31770953

CAS Registry Number 31770-95-3
Name:
2(3H)?-?Benzoxazolone, 5-?(methylsulfonyl)?-?6-?nitro-
2-Benzoxazolinone, 5-(methylsulfonyl)-6-nitro- (8CI)
5-(Methylsulfonyl)-6-nitro-2(3H)-benzoxazolone

 

Chemical Formula: C8H6N2O6S
Exact Mass: 257.99
Molecular Weight: 258.21
m/z: 257.99 (100.0%), 259.00 (9.0%), 259.99 (4.5%), 260.00 (1.7%), 258.99 (1.5%)

 

InChI:InChI=1S/C8H6N2O6S/c1-17(14,15)7-2-4-6(16-8(11)9-4)3-5(7)10(12)13/h2-3H,1H3,(H,9,11)

InChI Key:MVPPGNRJNZBDAK-UHFFFAOYSA-N

Canonical SMILES:CS(=O)(=O)C1=C(C=C2C(=C1)NC(=O)O2)[N+](=O)[O-]

 

Thermal Properties Value Condition Note
Melting Point 264 °C (decomp)   (1)IC

Specification

98%

References
  1. (1) Penchev, A.; Godishnik na Sofiiskiya Universitet Sv. Kliment Okhridski, Khimicheski Fakultet 1984, V74, P166-72 CAPLUS
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