Nitroacetanilide

C₈H₈N₂O₃CAS 104-04-1180.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₈N₂O₃
Molar mass: 180.16 g/mol
Exact mass: 180.0535 Da
Melting point: 216 °C
Boiling point: 100 °C
logP: 2.20Crippen estimate
Polar surface area: 75.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 46 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

104-04-1

SMILES

CC(O)=Nc1ccc([N+](=O)[O-])cc1

InChIKey

NQRLPDFELNCFHW-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N2O3/c1-6(11)9-7-2-4-8(5-3-7)10(12)13/h2-5H,1H3,(H,9,11)

Weigh it out

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

Names and synonyms

16 names · show all

Acetamide, N-(4-nitrophenyl)-
Acetanilide, 4′-nitro-
Acetanilide, p-nitro-
N-(4-Nitrophenyl)acetamide
p-Nitroacetanilide
4′-Nitroacetanilide
N-Acetyl-p-nitroaniline
p-Acetamidonitrobenzene
N-Acetyl-4-nitroaniline
N-Acetyl-4-nitrobenzenamine
1-Nitro-4-acetylaminobenzene
N-(p-Nitrophenyl)acetamide
4-(Acetylamino)nitrobenzene
NSC 1315
1-(Acetylamino)-4-nitrobenzene
4-Nitroacetanilide

Work with Nitroacetanilide

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N,N'-Diacetyl-p-phenylenediamine140-50-159 % similar N-(4-Chloro-3-nitrophenyl)acetamide5540-60-359 % similar 2-((4-Nitrophenyl)amino)-2-oxoacetic acid103-94-658 % similar 5-Acetamido-2-nitrobenzoic acid4368-83-656 % similar N-(2-Ethoxy-4-nitrophenyl)acetamide116496-76-552 % similar 1,4-Dinitrobenzene100-25-452 % similar 4′-Bromoacetanilide103-88-850 % similar 4-Methylacetanilide103-89-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-((4-Aminophenyl)amino)-2-oxoacetic acid103-92-4 3-Nitroacetanilide122-28-1 4-Methyl-3-nitrobenzamide19013-11-7 3,4-(Methylenedioxy)benzohydrazide22026-39-7 N-(2-Nitrophenyl)acetamide552-32-9 Nicotinuric acid583-08-4 3-Methyl-4-nitrobenzamide99584-85-7

Elsewhere

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