4-Nitrobenzoic acid hydrazide

C7H7N3O3CAS 636-97-5181.15 g/mol

Open in Covalent MOL file
H2NNHON+OO−
AmideNitroPrimary amine

Properties

Molecular formula
C7H7N3O3
Molar mass
181.15 g/mol
Exact mass
181.0487 Da
Melting point
218 °C (decomposes)
logP
0.20Crippen estimate
Polar surface area
98.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
636-97-5
SMILES
NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIKey
FKZXYJYTUSGIQE-UHFFFAOYSA-N
InChI
InChI=1S/C7H7N3O3/c8-9-7(11)5-1-3-6(4-2-5)10(12)13/h1-4H,8H2,(H,9,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

17 names · show all
  • Benzoic acid, 4-nitro-, hydrazide
  • Benzoic acid, p-nitro-, hydrazide
  • p-Nitrobenzhydrazide
  • (p-Nitrobenzoyl)hydrazine
  • p-Nitrobenzohydrazide
  • 4-Nitrobenzohydrazide
  • 4-Nitrobenzoyl hydrazide
  • 4-Nitrobenzoylhydrazine
  • p-Nitrobenzoic hydrazide
  • p-Nitrobenzoyl hydrazide
  • 4-Nitrobenzenecarboxylic acid hydrazide
  • p-Nitrobenzoic acid hydrazide
  • 4-Nitrobenzoic hydrazide
  • NSC 9804
  • 4-Nitrobenzhydrazide
  • INHd 18
  • 4-Nitrobenzocarboxyhydrazide

Work with 4-Nitrobenzoic acid hydrazide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Terephthalic dihydrazide136-64-162 % similar 4-Nitrobenzamide619-80-759 % similar 2-Chloro-4-nitrobenzhydrazide67345-78-259 % similar 3-Methyl-4-nitrobenzhydrazide72198-83-559 % similar 4′-Nitrobenzanilide3393-96-256 % similar 4-Nitrohippuric acid2645-07-056 % similar O-(4-Nitrobenzoyl)hydroxylamine35657-36-454 % similar N-(4-Nitrobenzoyl)-beta-alanine59642-21-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-3-nitrobenzamide313279-12-8 2-Acetamido-5-nitropyridine5093-64-1 o-Nitrobenzohydrazide606-26-8 3-Nitrobenzohydrazide618-94-0

Elsewhere

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