2-Nitro-3-methylimidazo(4,5-f)quinoline
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Basic information
- CAS
114451-08-0- Standard SMILES
Cn1c([N+](=O)[O-])nc2c3cccnc3ccc21- InChIKey
JQICQDTZNZTBEZ-UHFFFAOYSA-N- Molecular formula
- C11H8N4O2
- Average molar mass
- 228.21 g/mol
- Monoisotopic mass
- 228.06472551
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-Nitro-3-methylimidazo(4,5-f)quinoline
- IUPAC
- 3-methyl-2-nitroimidazo[4,5-f]quinoline
- English name
- 3-Methyl-2-nitro-3H-imidazo[4,5-F]quinoline
- Molecular formula
- C11H8N4O2
- Molecular weight
- 228.21
Names & synonyms
114451-08-03-Methyl-2-nitro-3H-imidazo[4,5-F]quinoline2-Nitro-3-methylimidazo(4,5-f)quinoline3-methyl-2-nitroimidazo[4,5-f]quinolineNitro-IQ3-Methyl-2-nitro-3H-imidazo(4,5-f)quinoline3-Methyl-2-nitroimidazo(4,5-f)quinolineO8YW0O14FYDTXSID201507333H-Imidazo(4,5-f)quinoline, 3-methyl-2-nitro-3H-Imidazo[4,5-f]quinoline, 3-methyl-2-nitro-2-Nitro-3-methylimidazo[4,5-f]quinoline
Show more names
Nitro-I2-nitro-3-methylimidazoloquinoline
IQ(NO2)RefChem:88670DTXCID7073224CCRIS 4001BRN 5562491starbld0003931UNII-O8YW0O14FYAKOS025394161
Database identifiers
- CAS
114451-08-0- PubChem CID
- 3034802
- DTXSID
DTXSID20150733- UNII
- O8YW0O14FY
- Nikkaji
- J525.435C
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Melting point
- 277 · 277-278°C
- Boiling point
- 497.7 · 497.7±37.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- pka
- 2.24 · 2.24±0.50(Predicted)
- color
- Orange
- CAS DataBase Reference
- 114451 · 114451-08-0
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 YW0O14FY · O8YW0O14FY
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesA mutagenic compound produced by cooking beef.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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