912514
N-Nitrosaccharin
Synonym(s):
2-Nitrobenzo[d]isothiazolone 1,1-dioxide
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About This Item
Empirical Formula (Hill Notation):
C7H4N2O5S
CAS Number:
Molecular Weight:
228.18
MDL number:
UNSPSC Code:
12352200
Form:
powder
InChI key
DQIYDCGGBPKJJW-UHFFFAOYSA-N
InChI
1S/C7H4N2O5S/c10-7-5-3-1-2-4-6(5)15(13,14)8(7)9(11)12/h1-4H
SMILES string
[S]1(=O)(=O)N(C(=O)c2c1cccc2)[N+](=O)[O-]
form
powder
availability
available only in USA
storage temp.
−20°C
Application
2-Nitrobenzo[d]isothiazolone 1,1-dioxide is easy-to-handle, bench stable nitration reagent that enables access to nitro(hetero)arenes under mild reaction conditions and in high efficiency.
signalword
Danger
hcodes
Hazard Classifications
Self-react. C
Storage Class
5.2 - Organic peroxides and self-reacting hazardous materials
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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Roxan Calvo et al.
Nature communications, 10(1), 3410-3410 (2019-08-01)
Nitroaromatics and nitroheteroaromatics serve as key building blocks and intermediates in synthesis, and form the core scaffold of a vast number of materials, dyes, explosives, agrochemicals and pharmaceuticals. However, their synthesis relies on harsh methodologies involving excess mineral acids, which
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