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Merck
CN

467235

4-Nitro-2,1,3-benzoselenadiazole

95%

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About This Item

Empirical Formula (Hill Notation):
C6H3N3O2Se
CAS Number:
20718-41-6
Molecular Weight:
228.07
UNSPSC Code:
12352100
PubChem Substance ID:
24870390
MDL number:
MFCD00182136
Assay:
95%
Form:
solid

Key Documents

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InChI

1S/C6H3N3O2Se/c10-9(11)5-3-1-2-4-6(5)8-12-7-4/h1-3H

SMILES string

[O-][N+](=O)c1cccc2n[se]nc12

InChI key

PUKFAFPOBCMYAI-UHFFFAOYSA-N

assay

95%

form

solid

mp

221 °C (dec.) (lit.)

storage temp.

−20°C

General description

4-Nitro-2,1,3-benzoselenadiazole has been synthesized from the nitration of 2,1,3-benzoselenadiazole using HNO3-H2SO4. It participates in the o-phenylenediamine synthesis.

Application

4-Nitro-2,1,3-benzoselenadiazole may be used in the preparation of 3-nitro-1,2-phenylenediamine.

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Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - STOT RE 2

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
11821PQ

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A new facet of the reaction of nitro heteroaromatic compounds with ethyl isocyanoacetate.
Murashima T, et al.
Journal of the Chemical Society. Perkin Transactions 1, 12, 1403-1407 (1996)
912. 2, 1, 3-Benzoselenadiazoles as intermediates in o-phenylenediamine synthesis.
Bird CW, et al.
Journal of the Chemical Society, 4767-4770 (1963)
Bharat Gadakh et al.
Bioorganic & medicinal chemistry, 22(10), 2875-2886 (2014-04-22)
Aminoacyl-sulfamoyl adenosines are well-known nanomolar inhibitors of the corresponding prokaryotic and eukaryotic tRNA synthetases in vitro. Inspired by the aryl-tetrazole containing compounds of Cubist Pharmaceuticals and the modified base as found in the natural antibiotic albomycin, the selectivity issue of

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