1,8-Dinitronaphthalene

C10H6N2O4CAS 602-38-0218.17 g/mol

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ON+O−N+OO−
Nitro

Properties

Molecular formula
C10H6N2O4
Molar mass
218.17 g/mol
Exact mass
218.0328 Da
Density
1.46 g/mL
Melting point
173 °C
Water solubility
< 1 g/L (18.9 °C)
logP
2.66Crippen estimate
Polar surface area
86.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P501

Identifiers

CAS number
602-38-0
SMILES
O=[N+]([O-])c1cccc2cccc([N+](=O)[O-])c12
InChIKey
AVCSMMMOCOTIHF-UHFFFAOYSA-N
InChI
InChI=1S/C10H6N2O4/c13-11(14)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16/h1-6H

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Names and synonyms

2 names
  • Naphthalene, 1,8-dinitro-
  • NSC 6323

Work with 1,8-Dinitronaphthalene

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-Nitronaphthalene86-57-764 % similar 1-Nitropyrene5522-43-063 % similar 1,2-Dinitrobenzene528-29-063 % similar 2-Chloro-1,3-dinitrobenzene606-21-359 % similar 2,6-Dinitrophenol573-56-857 % similar 2,6-Dinitrotoluene606-20-257 % similar 2,6-Dinitroaniline606-22-457 % similar 8-Nitroquinoline607-35-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(4-Nitrophenyl)maleimide4338-06-1 1,5-Dinitronaphthalene605-71-0 1,4-Dinitronaphthalene6921-26-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook