1,5-Dinitronaphthalene

C₁₀H₆N₂O₄CAS 605-71-0218.17 g/mol

Open in Covalent MOL file

Nitro

Properties

Molecular formula: C₁₀H₆N₂O₄
Molar mass: 218.17 g/mol
Exact mass: 218.0328 Da
Density: 1.6 g/mL
Melting point: 219 °C
Water solubility: < 1 g/L (20 °C)
logP: 2.66Crippen estimate
Polar surface area: 86.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Danger

H315 Causes skin irritation16.3% of notifiers
H317 May cause an allergic skin reaction83.7% of notifiers
H318 Causes serious eye damage81.6% of notifiers
H319 Causes serious eye irritation16.3% of notifiers
H335 May cause respiratory irritation14.3% of notifiers
H341 Suspected of causing genetic defects100% of notifiers
H412 Harmful to aquatic life with long lasting effects93.9% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

605-71-0

SMILES

O=[N+]([O-])c1cccc2c([N+](=O)[O-])cccc12

InChIKey

ZUTCJXFCHHDFJS-UHFFFAOYSA-N

InChI

InChI=1S/C10H6N2O4/c13-11(14)9-5-1-3-7-8(9)4-2-6-10(7)12(15)16/h1-6H

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Names and synonyms

2 names

Naphthalene, 1,5-dinitro-
NSC 20593

Work with 1,5-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-Bromo-5-nitronaphthalene5328-76-777 % similar 1-Nitronaphthalene86-57-776 % similar 1,2-Dinitrobenzene528-29-068 % similar 2-Chloro-1,3-dinitrobenzene606-21-364 % similar 5-Nitroquinoline607-34-163 % similar 4-Nitro-1-naphthol605-62-962 % similar 1-Amino-4-nitronaphthalene776-34-162 % similar 4-Methyl-1-nitronaphthalene880-93-362 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(4-Nitrophenyl)maleimide4338-06-1 1,8-Dinitronaphthalene602-38-0 1,4-Dinitronaphthalene6921-26-2

Elsewhere

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