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467235

Sigma-Aldrich

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
MDL number:
MFCD00182136
UNSPSC Code:
12352100
PubChem Substance ID:
24870390

Assay

95%

form

solid

mp

221 °C (dec.) (lit.)

storage temp.

−20°C

SMILES string

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

InChI

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

InChI key

PUKFAFPOBCMYAI-UHFFFAOYSA-N

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.

Signal Word

Danger

Hazard Statements

H301 + H331,H373,H410

Hazard Classifications

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

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
11821PQ

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Bharat Gadakh et al.
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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
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)

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