189286
4-Nitrobenzamide
98%
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About This Item
Linear Formula:
O2NC6H4CONH2
CAS Number:
Molecular Weight:
166.13
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
210-613-7
MDL number:
Product Name
4-Nitrobenzamide, 98%
InChI key
ZESWUEBPRPGMTP-UHFFFAOYSA-N
InChI
1S/C7H6N2O3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H,(H2,8,10)
SMILES string
NC(=O)c1ccc(cc1)[N+]([O-])=O
assay
98%
form
solid
mp
199-201 °C (lit.)
functional group
amide
nitro
Quality Level
Related Categories
Application
4-Nitrobenzamide was used in the preparation of 4-nitrobenziminosulfurane.
General description
Negative quasimolecular ions of 4-nitrobenzamide has been investigated by electrospray ionization mass spectrometry.
signalword
Warning
hcodes
pcodes
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Regulatory Information
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Preparation of nitriles from primary amides under Swern oxidation conditions.
Nakajima N and Ubukata M.
Tetrahedron Letters, 38(12), 2099-2102 (1997)
F C Chiu et al.
Journal of the American Society for Mass Spectrometry, 11(12), 1061-1064 (2000-01-11)
Negative quasimolecular ions of aromatic carboxylic acid amides have been observed unexpectedly under electrospray ionization conditions. Hypothetically, deprotonation of either carboxamide or carboximidic acid tautomers can produce anions with equivalent resonance structures, the stability of which is affected by conjugated
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