1-Nitronaphthalene
Properties
- Molecular formula
- C10H7NO2
- Molar mass
- 173.17 g/mol
- Exact mass
- 173.0477 Da
- Density
- 1.332 g/mL (at 20 °C)
- Melting point
- 61 °C
- Boiling point
- 304 °C
- Flash point
- 164 °C (closed cup)
- Water solubility
- 9.18 mg/L
- logP
- 2.75Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H228 Flammable solid79.3% of notifiers
- H301 Toxic if swallowed98.3% of notifiers
- H315 Causes skin irritation20.7% of notifiers
- H319 Causes serious eye irritation20.7% of notifiers
- H335 May cause respiratory irritation20.7% of notifiers
- H351 Suspected of causing cancer20.7% of notifiers
- H411 Toxic to aquatic life with long lasting effects34.5% of notifiers
Aggregated from 58 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P210, P240, P241, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P405, P501
Identifiers
CAS number
86-57-7SMILES
O=[N+]([O-])c1cccc2ccccc12InChIKey
RJKGJBPXVHTNJL-UHFFFAOYSA-NInChI
InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Naphthalene, 1-nitro-
- α-Nitronaphthalene
- Nitrol (pesticide)
- Nitrol
- NSC 9584
- 1-Nitronaphthaline
Work with 1-Nitronaphthalene
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1,5-Dinitronaphthalene605-71-076 % similar
1,4-Dinitronaphthalene6921-26-269 % similar
1,8-Dinitronaphthalene602-38-064 % similar
1,2-Dinitrobenzene528-29-064 % similar
5-Nitroisoquinoline607-32-964 % similar
4-Nitroisoquinoline36073-93-563 % similar
1-Bromo-5-nitronaphthalene5328-76-761 % similar
2-Nitro-1-naphthylamine607-23-861 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.