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About This Item
Empirical Formula (Hill Notation):
C7H4N2O2S
CAS Number:
Molecular Weight:
180.18
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
99%
mp
175-178 °C (lit.)
SMILES string
[O-][N+](=O)c1ccc2ncsc2c1
InChI
1S/C7H4N2O2S/c10-9(11)5-1-2-6-7(3-5)12-4-8-6/h1-4H
InChI key
QLUFBCVWKTWKBF-UHFFFAOYSA-N
General description
The XCORFE (Xnucleus-proton correlation with fixed evolution time) pulse sequence of 6-nitrobenzothiazole has been tested.
Application
6-Nitrobenzothiazole may be used in the preparation of 4-amino-3-sulfanylbenzonitrile and 2-amino-5-nitrobenzothiole, via alkaline hydrolysis.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Heterocyclic Amplifiers of Phleomycin. IX. Some Derivatives of Fused and Unfused Mono-and Di-aza Heterocycles.
Barlin GB and Ireland SJ.
Australian Journal of Chemistry, 38(11), 1685-1691 (1985)
Assignment of quaternary carbons in aromatic compounds by long-range heteronuclear shift correlated 2D-NMR spectroscopy and its application to acteoside.
Numata A, et al.
Agricultural and Biological Chemistry, 51(4), 1199-1201 (1987)
Livio Racané et al.
Bioorganic & medicinal chemistry, 18(3), 1038-1044 (2010-01-12)
The efficient synthesis of new bis-substituted nitro-amidino, amino-amidino (10a, 10b-13a, 13b) and previously prepared diamidino 2-phenyl-benzothiazoles (9a, 9b) is described. The compounds 11a and 11b were prepared by recently developed methodology of the key precursors in zwitterionic form 8a and
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