4-Nitrobenzaldehyde

C₇H₅NO₃CAS 555-16-8151.12 g/mol

Open in Covalent MOL file

Aldehyde Nitro

Properties

Molecular formula: C₇H₅NO₃
Molar mass: 151.12 g/mol
Exact mass: 151.0269 Da
Melting point: 107 °C
Boiling point: 50 °C (at 0.2 Torr)
logP: 1.41Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation35.3% of notifiers
H317 May cause an allergic skin reaction80.9% of notifiers
H319 Causes serious eye irritation97.1% of notifiers
H335 May cause respiratory irritation33.8% of notifiers
H412 Harmful to aquatic life with long lasting effects22.1% of notifiers

Aggregated from 68 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P273, 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

555-16-8

SMILES

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

InChIKey

BXRFQSNOROATLV-UHFFFAOYSA-N

InChI

InChI=1S/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H

Weigh it out

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

Names and synonyms

7 names

Benzaldehyde, 4-nitro-
Benzaldehyde, p-nitro-
p-Nitrobenzaldehyde
p-Formylnitrobenzene
4-Formylnitrobenzene
NSC 6103
4-Nitrobenzenecarboxaldehyde

Reactions

p-NITROBENZALDEHYDE (Benzaldehyde, p-nitro-)product

Work with 4-Nitrobenzaldehyde

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

1,4-Dinitrobenzene100-25-465 % similar 4-Nitrostyrene100-13-062 % similar 4-Nitrocinnamaldehyde1734-79-861 % similar 4,4′-Dinitro-1,1′-biphenyl1528-74-158 % similar 4-Nitrobenzaldehyde oxime1129-37-956 % similar 4-Nitrophenyl formate1865-01-653 % similar 3-(4-Nitrophenyl)-2-propen-1-ol1504-63-853 % similar 2-Hydroxy-4-nitrobenzaldehyde2460-58-453 % similar

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

Same formula

2-Nitrobenzaldehyde552-89-6 3-Nitrobenzaldehyde99-61-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia