3,5-Dinitrobenzaldehyde

C₇H₄N₂O₅CAS 14193-18-1196.12 g/mol

Open in Covalent MOL file

Aldehyde Nitro

Properties

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

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H317 May cause an allergic skin reaction50% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

14193-18-1

SMILES

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C=O

InChIKey

YCTNWTBGSOCMRO-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

Benzaldehyde, 3,5-dinitro-
Benzaldehyde,3,5-dinitro
Benzaldehyde,3,5-dinitro-
3.5-Dinitro-benzaldehyd
3,5-Dinitro-benzaldehyde

Reactions

3,5-DINITROBENZALDEHYDE (Benzaldehyde, 3,5-dinitro-)product

Work with 3,5-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

3-Bromo-5-nitrobenzaldehyde355134-13-373 % similar 3-Nitrobenzaldehyde99-61-667 % similar 1,3,5-Trinitrobenzene99-35-465 % similar 4-Nitrobenzaldehyde555-16-864 % similar 1-Bromo-3,5-dinitrobenzene18242-39-252 % similar 3,5-Dinitroaniline618-87-152 % similar 1-Iodo-3,5-dinitrobenzene6276-04-652 % similar 3,4-Dihydroxy-5-nitrobenzaldehyde116313-85-051 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dinitrobenzaldehyde528-75-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook