5-Nitrosalicylaldehyde

C₇H₅NO₄CAS 97-51-8167.12 g/mol

Open in Covalent MOL file

Aldehyde Nitro Phenol

Properties

Molecular formula: C₇H₅NO₄
Molar mass: 167.12 g/mol
Exact mass: 167.0219 Da
Melting point: 126 °C
logP: 1.11Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed32.9% of notifiers
H315 Causes skin irritation32.9% of notifiers
H318 Causes serious eye damage67.1% of notifiers
H319 Causes serious eye irritation32.9% of notifiers
H411 Toxic to aquatic life with long lasting effects68.4% of notifiers

Aggregated from 155 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number

97-51-8

SMILES

O=Cc1cc([N+](=O)[O-])ccc1O

InChIKey

IHFRMUGEILMHNU-UHFFFAOYSA-N

InChI

InChI=1S/C7H5NO4/c9-4-5-3-6(8(11)12)1-2-7(5)10/h1-4,10H

Weigh it out

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

Names and synonyms

10 names

Benzaldehyde, 2-hydroxy-5-nitro-
Salicylaldehyde, 5-nitro-
2-Hydroxy-5-nitrobenzaldehyde
5-Nitro-2-hydroxybenzaldehyde
6-Hydroxy-3-nitrobenzaldehyde
2-Formyl-4-nitrophenol
NSC 881
NSC 97387
5-Nitrosalicylaladhyde
2-Hydroxy-5-nitrobenzaldehye

Work with 5-Nitrosalicylaldehyde

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

2,4-Dinitrobenzaldehyde528-75-666 % similar 4-Nitrocatechol3316-09-464 % similar 2-Fluoro-4-nitrobenzaldehyde157701-72-962 % similar 2-Methyl-5-nitrobenzaldehyde16634-91-662 % similar 2-Fluoro-5-nitrobenzaldehyde27996-87-862 % similar 2-Chloro-5-nitrobenzaldehyde6361-21-362 % similar 2,4-Dinitrophenol51-28-560 % similar 2-Methyl-4-nitrophenol99-53-658 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Pyridinedicarboxylic acid100-26-5 3-Nitrobenzoic acid121-92-6 4-Nitrophenyl formate1865-01-6 3-(5-Nitro-2-furyl)acrolein1874-22-2 2-Hydroxy-4-nitrobenzaldehyde2460-58-4 6-Nitro-1,3-benzodioxole2620-44-2 4-Hydroxy-3-nitrobenzaldehyde3011-34-5 Quinolinic acid339155-13-4

Elsewhere

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