Ethyl 4-bromo-6-nitroquinoline-3-carboxylate
Basic information
- CAS
1378260-95-7- Standard SMILES
CCOC(=O)c1cnc2ccc([N+](=O)[O-])cc2c1Br- InChIKey
POGCJNPTUXPWOV-UHFFFAOYSA-N- Molecular formula
- C12H9BrN2O4
- Average molar mass
- 325.11 g/mol
- Monoisotopic mass
- 323.97457
Names & identifiers
- Preferred name
- Ethyl 4-bromo-6-nitroquinoline-3-carboxylate
- IUPAC
- ethyl 4-bromo-6-nitroquinoline-3-carboxylate
- English name
- 4-Bromo-6-nitro-quinoline-3-carboxylic acid ethyl ester
- Molecular formula
- C12H9BrN2O4
- Molecular weight
- 325.11
Names & synonyms
1378260-95-7Ethyl 4-bromo-6-nitroquinoline-3-carboxylateethyl 4-bromo-6-nitro-quinoline-3-carboxylate3-Quinolinecarboxylic acid, 4-bromo-6-nitro-, ethyl esterMFCD22371672DTXSID501196796SB72875Ethyl4-bromo-6-nitroquinoline-3-carboxylateF892674-Bromo-6-nitro-quinoline-3-carboxylic acid ethyl esterethyl 4-bromo-6-nitro-quinoline-3-carboxylate - [E82626]
Database identifiers
- CAS
1378260-95-7- PubChem CID
- 97033468
- DTXSID
DTXSID501196796
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- Boiling point
- 433.4 · 433.4±40.0 °C(Predicted)
- Density
- 1.632 · 1.632±0.06 g/cm3(Predicted)
- pka
- -0.15 · -0.15±0.27(Predicted)
- 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
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Compound notes
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