2-[(2,4-Dinitrophenyl)methyl]pyridine

C12H9N3O4CAS 1151-97-9259.22 g/mol

ON+O−NN+OO−
Nitro

Properties

Molecular formula
C12H9N3O4
Molar mass
259.22 g/mol
Exact mass
259.0593 Da
Melting point
93 °C
logP
2.49Crippen estimate
Polar surface area
99.2 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1151-97-9
SMILES
O=[N+]([O-])c1ccc(Cc2ccccn2)c([N+](=O)[O-])c1
InChIKey
KKFNJVINGIUTIH-UHFFFAOYSA-N
InChI
InChI=1S/C12H9N3O4/c16-14(17)11-5-4-9(12(8-11)15(18)19)7-10-3-1-2-6-13-10/h1-6,8H,7H2

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Names and synonyms

4 names
  • Pyridine, 2-[(2,4-dinitrophenyl)methyl]-
  • Pyridine, 2-(2,4-dinitrobenzyl)-
  • 2-(2′,4′-Dinitrobenzyl)pyridine
  • 2-(2,4-Dinitrobenzyl)pyridine

Work with 2-[(2,4-Dinitrophenyl)methyl]pyridine

Similar compounds

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

Same formula

Elsewhere