Ethyl 6,8-dibromo-1,2-dihydro-2-oxo-3-quinolinecarboxylate
Basic information
- CAS
860787-14-0- Standard SMILES
CCOC(=O)c1cc2cc(Br)cc(Br)c2[nH]c1=O- InChIKey
UFQHSUUUNALIBY-UHFFFAOYSA-N- Molecular formula
- C12H9Br2NO3
- Average molar mass
- 375.01 g/mol
- Monoisotopic mass
- 372.89492
Names & identifiers
- Preferred name
- Ethyl 6,8-dibromo-1,2-dihydro-2-oxo-3-quinolinecarboxylate
- IUPAC
- ethyl 6,8-dibromo-2-oxo-1H-quinoline-3-carboxylate
- English name
- Ethyl 6,8-dibromo-2-oxo-1,2-dihydro-3-quinolinecarboxylate
- Molecular formula
- C12H9Br2NO3
- Molecular weight
- 375.01
Names & synonyms
860787-14-0Ethyl 6,8-dibromo-1,2-dihydro-2-oxo-3-quinolinecarboxylateRefChem:344464Ethyl 6,8-dibromo-2-oxo-1,2-dihydroquinoline-3-carboxylateethyl 6,8-dibromo-2-oxo-1H-quinoline-3-carboxylateEthyl 6,8-dibromo-2-oxo-1,2-dihydro-3-quinolinecarboxylateMFCD04124609Ethyl 6,8-dibromo-2-hydroxyquinoline-3-carboxylateSCHEMBL2317058DTXSID101191556ethyl 6,8-dibromo-1,2-dihydro-2-oxoquinoline-3-carboxylateAKOS005069709
Show more names
Ethyl 6,8-dibromo-2-oxo-1,2-dihydroquinoline-3-carboxylate 95+%3-Quinolinecarboxylic acid, 6,8-dibromo-1,2-dihydro-2-oxo-, ethyl ester
SB72860CS-045635912W-0851Ethyl6,8-dibromo-2-oxo-1,2-dihydroquinoline-3-carboxylate
Database identifiers
- CAS
860787-14-0- PubChem CID
- 1473534
- DTXSID
DTXSID101191556
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Melting point
- 233 · 233-235°C
- Boiling point
- 494.4 · 494.4±45.0 °C(Predicted)
- Density
- 1.815 · 1.815±0.06 g/cm3(Predicted)
- pka
- 8.57 · 8.57±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933499090 · 2933499090
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
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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