Basic information
- CAS
53761-54-9- Standard SMILES
CCn1c(=O)ccc2cc([N+](=O)[O-])ccc21- InChIKey
MQDFWIDPJVANIL-UHFFFAOYSA-N- Molecular formula
- C11H10N2O3
- Average molar mass
- 218.21 g/mol
- Monoisotopic mass
- 218.06914219
Names & identifiers
- Preferred name
- 1-ethyl-6-nitroquinolin-2(1H)-one
- IUPAC
- 1-ethyl-6-nitroquinolin-2-one
- English name
- 1-ethyl-6-nitro-1H-quinolin-2-one
- Molecular formula
- C11H10N2O3
- Molecular weight
- 218.21
Names & synonyms
1-ethyl-6-nitroquinolin-2(1H)-one53761-54-91-Ethyl-6-nitro-1H-quinolin-2-one1-ethyl-6-nitro-2(1H)-quinolinoneOprea1_482697Oprea1_506566MLS000709051CHEMBL1411033SCHEMBL17576256HMS2665F131-ethyl-6-nitrohydroquinolin-2-oneSTK378155
Show more names
1-ethyl-6-nitroquinolin-2-one2(1H)-Quinolinone, 1-ethyl-6-nitro-
AKOS000732818SMR000282918ST0652261-ethyl-6-nitro-1,2-dihydroquinolin-2-oneEU-0034545AH-034/10835014SR-01000397806SR-01000397806-1
Database identifiers
- CAS
53761-54-9- PubChem CID
- 767348
- ChEMBL
CHEMBL1411033- EC Number
- 126-065-6
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 335
Experimental & physicochemical properties
Solubility>32.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 364.1 · 364.1±42.0 °C(Predicted)
- Density
- 1.31 · 1.310±0.06 g/cm3(Predicted)
- pka
- -3.99 · -3.99±0.20(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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