5-Nitro-1,2-dihydroquinolin-2-one

HCID 243776CAS 6938-27-8

Substructure search Find similar structures

Basic information

Standard SMILES: O=c1ccc2c([N+](=O)[O-])cccc2[nH]1
InChIKey: NRZABPOFVNBWMI-UHFFFAOYSA-N
Molecular formula: C9H6N2O3
Average molar mass: 190.16 g/mol
Monoisotopic mass: 190.03784205

Names & identifiers

Preferred name: 5-Nitro-1,2-dihydroquinolin-2-one
IUPAC: 5-nitro-1H-quinolin-2-one
English name: 5-nitro-1H-quinolin-2-one
Molecular formula: C9H6N2O3
Molecular weight: 190.16

Names & synonyms

5-nitro-1,2-dihydroquinolin-2-oneRefChem:537367832-522-75-nitroquinolin-2(1h)-one6938-27-82(1H)-Quinolinone, 5-nitro-5-NITROQUINOLIN-2-OLMFCD111102685-Nitrocarbostyril; 5-Nitroquinolin-2(1H)-one; NSC 53940; 5-(Hydroxyl[oxido]amino)-2-hydroxyquinoline;NSC539405-nitro-hydroxyquinoline5-Nitroquinoline 2-oxide

Show more names

NSC 539405-Nitrocarbostyril5-nitro-1H-quinolin-2-one

SCHEMBL3316565-nitroquinolin-2 (1H)-oneSCHEMBL6272457CHEMBL2042584DTXSID70288050NRZABPOFVNBWMI-UHFFFAOYSA-NGAA93827CL1015

Database identifiers

CAS: 6938-27-8
PubChem CID: 243776
DTXSID: DTXSID70288050
ChEMBL: CHEMBL2042584
EC Number: 832-522-7

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 74.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 295

Physicochemical properties

Melting point: 245 · 245-247℃
Boiling point: 422.1 · 422.1±45.0 °C(Predicted)
Density: 1.419 · 1.419
storage temp.: 2 · 2-8°C, stored under nitrogen
solubility: Methanol, Ethyl Acetate
form: Solid
pka: 10.54 · 10.54±0.70(Predicted)
color: Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933499090 · 2933499090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.