2,4-Dinitrobenzaldehyde

C₇H₄N₂O₅CAS 528-75-6196.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₄N₂O₅
Molar mass: 196.12 g/mol
Exact mass: 196.0120 Da
Melting point: 72 °C
logP: 1.32Crippen estimate
Polar surface area: 103.3 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

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

528-75-6

SMILES

O=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

InChIKey

ZILXIZUBLXVYPI-UHFFFAOYSA-N

InChI

InChI=1S/C7H4N2O5/c10-4-5-1-2-6(8(11)12)3-7(5)9(13)14/h1-4H

Weigh it out

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

Names and synonyms

2 names

Benzaldehyde, 2,4-dinitro-
NSC 36948

Reactions

2,4-DINITROBENZALDEHYDE (Benzaldehyde, 2,4-dinitro-)product

Work with 2,4-Dinitrobenzaldehyde

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

2-Hydroxy-4-nitrobenzaldehyde2460-58-468 % similar 4-Fluoro-2-nitrobenzaldehyde2923-96-868 % similar 4-Chloro-2-nitrobenzaldehyde5551-11-166 % similar 5-Nitrosalicylaldehyde97-51-866 % similar 3,5-Dinitrosalicylaldehyde2460-59-561 % similar 2-Fluoro-5-nitrobenzaldehyde27996-87-861 % similar 2-Chloro-5-nitrobenzaldehyde6361-21-361 % similar 2-Nitro-4-(trifluoromethyl)benzaldehyde109466-87-761 % similar

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

Same formula

3,5-Dinitrobenzaldehyde14193-18-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook