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522457

Sigma-Aldrich

3-Amino-5-nitrobenzisothiazole

97%

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Empirical Formula (Hill Notation):
C7H5N3O2S
CAS Number:
Molecular Weight:
195.20
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

97%

mp

250 °C (dec.) (lit.)

SMILES string

Nc1nsc2ccc(cc12)[N+]([O-])=O

InChI

1S/C7H5N3O2S/c8-7-5-3-4(10(11)12)1-2-6(5)13-9-7/h1-3H,(H2,8,9)

InChI key

LDTCWISGJYTXDC-UHFFFAOYSA-N

General description

3-Amino-5-nitrobenzisothiazole forms 1:1 complex with β-cyclodextrin (β-CDx). Structural and photoprototropic features of this complex have been investigated.

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Theoretical study of inclusion complexation of 3-amino-5-nitrobenzisothiazole with ?-cyclodextrin.
Leila N, et al.
Journal of Molecular Liquids, 160(1), 8-13 (2011)
R Rajamohan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 69(2), 371-377 (2007-07-03)
The inclusion complexation and photoprototropic behaviour of 3-amino-5-nitrobenzisothiazole (ANBT) in aqueous beta-cyclodextrin (beta-CDx) solution have been investigated. Absorption and fluorescence intensities of the neutral form of ANBT are enhanced due to the formation of 1:1 complex with beta-CDx. The complex

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