467235
4-Nitro-2,1,3-benzoselenadiazole
95%
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About This Item
Empirical Formula (Hill Notation):
C6H3N3O2Se
CAS Number:
Molecular Weight:
228.07
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
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
Precautionary Statements
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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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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