2-Methyl-5-nitrobenzaldehyde

C8H7NO3CAS 16634-91-6165.15 g/mol

Open in Covalent MOL file
N+OO−O
AldehydeNitro

Properties

Molecular formula
C8H7NO3
Molar mass
165.15 g/mol
Exact mass
165.0426 Da
logP
1.72Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
16634-91-6
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])C=O
InChIKey
JLFWTLNLOSUFMU-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO3/c1-6-2-3-8(9(11)12)4-7(6)5-10/h2-5H,1H3

Weigh it out

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

Work with 2-Methyl-5-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

4-Nitro-o-xylene99-51-464 % similar 2-Fluoro-5-nitrobenzaldehyde27996-87-862 % similar 2-Chloro-5-nitrobenzaldehyde6361-21-362 % similar 5-Nitrosalicylaldehyde97-51-862 % similar 2,4-Dinitrobenzaldehyde528-75-661 % similar 2,4-Dinitrotoluene121-14-260 % similar 2-Hydroxy-4-nitrobenzaldehyde2460-58-459 % similar 2-Iodo-1-methyl-4-nitrobenzene7745-92-858 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

P-Nitroacetophenone100-19-6 Methyl 6-formylpyridine-3-carboxylate10165-86-3 3′-Nitroacetophenone121-89-1 5-Nitro-2,3-dihydro-1-benzofuran17403-47-3 3-Methyl-4-nitrobenzaldehyde18515-67-8 1,3-Benzodioxole-5-carboxaldehyde oxime2089-36-3 2-Amino-3-formylbenzoic acid27867-47-6 4-Methyl-3-nitrobenzaldehyde31680-07-6

Elsewhere

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