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Key Documents

189286

Sigma-Aldrich

4-Nitrobenzamide

98%

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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

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.

Pictograms

Exclamation mark

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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