3-Nitroacetanilide

C₈H₈N₂O₃CAS 122-28-1180.16 g/mol

Open in Covalent MOL file

Amide Nitro

Properties

Molecular formula: C₈H₈N₂O₃
Molar mass: 180.16 g/mol
Exact mass: 180.0535 Da
Melting point: 155 °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 irritation97.7% of notifiers
H317 May cause an allergic skin reaction88.6% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

122-28-1

SMILES

CC(O)=Nc1cccc([N+](=O)[O-])c1

InChIKey

KFTYNYHJHKCRKU-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N2O3/c1-6(11)9-7-3-2-4-8(5-7)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

11 names

N-(3-Nitrophenyl)acetamide
Acetamide, N-(3-nitrophenyl)-
Acetanilide, 3′-nitro-
Acetanilide, m-nitro-
N-Acetyl-m-nitroaniline
3′-Nitroacetanilide
3-Nitro-N-acetylaniline
m-Nitroacetanilide
NSC 1314
NSC 99339
1-(Acetylamino)-3-nitrobenzene

Work with 3-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-(4-Chloro-3-nitrophenyl)acetamide5540-60-360 % similar 3-Nitrophenyl isocyanate3320-87-455 % similar 5-Acetamido-2-nitrobenzoic acid4368-83-654 % similar 3-Hydroxy-3'-nitro-2-naphthanilide135-65-954 % similar 1,3-Dinitrobenzene99-65-053 % similar 3-Nitrophenyl isothiocyanate3529-82-652 % similar N-(3-Fluorophenyl)acetamide351-28-051 % similar N-(3-Methylphenyl)acetamide537-92-851 % similar

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

Same formula

2-((4-Aminophenyl)amino)-2-oxoacetic acid103-92-4 Nitroacetanilide104-04-1 4-Methyl-3-nitrobenzamide19013-11-7 3,4-(Methylenedioxy)benzohydrazide22026-39-7 N-(2-Nitrophenyl)acetamide552-32-9 Nicotinuric acid583-08-4

Elsewhere

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