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About This Item
Linear Formula:
O2NC6H4CONH2
CAS Number:
Molecular Weight:
166.13
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Quality Level
Assay
98%
form
solid
mp
199-201 °C (lit.)
SMILES string
NC(=O)c1ccc(cc1)[N+]([O-])=O
InChI
1S/C7H6N2O3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H,(H2,8,10)
InChI key
ZESWUEBPRPGMTP-UHFFFAOYSA-N
General description
Negative quasimolecular ions of 4-nitrobenzamide has been investigated by electrospray ionization mass spectrometry.
Application
4-Nitrobenzamide was used in the preparation of 4-nitrobenziminosulfurane.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral
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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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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