6-Bromo-2-hydroxyquinoline-4-carboxylic acid
Basic information
- CAS
5463-29-6- Standard SMILES
O=C(O)c1cc(=O)[nH]c2ccc(Br)cc12- InChIKey
MSHIVFYFWJGDMA-UHFFFAOYSA-N- Molecular formula
- C10H6BrNO3
- Average molar mass
- 268.06 g/mol
- Monoisotopic mass
- 266.95311
Names & identifiers
- Preferred name
- 6-Bromo-2-hydroxyquinoline-4-carboxylic acid
- IUPAC
- 6-bromo-2-oxo-1H-quinoline-4-carboxylic acid
- English name
- 6-Bromo-2-hydroxyquinoline-4-carboxylic acid
- Molecular formula
- C10H6BrNO3
- Molecular weight
- 268.06
Names & synonyms
6-bromo-2-hydroxyquinoline-4-carboxylic acidDTXSID30281365RefChem:540746DTXCID30232519821-405-65463-29-66-Bromo-2-oxo-1,2-dihydroquinoline-4-carboxylic acid6-bromo-2-oxo-1H-quinoline-4-carboxylic acidMFCD098371714-Quinolinecarboxylic acid, 6-bromo-1,2-dihydro-2-oxo-6-bromo-2-hydroxy-4-quinolinecarboxylic acidNSC21418
Show more names
6-Bromo-2-oxo-1,2-dihydroquinoline-5-carboxylic acid
Maybridge1_005924Cambridge id 51857336-bromo-2-keto-1H-quinoline-4-carboxylic acidOprea1_479547Oprea1_832260SCHEMBL5015458SCHEMBL24840849HMS558F06
Database identifiers
- CAS
5463-29-6- PubChem CID
- 228464
- DTXSID
DTXSID30281365- EC Number
- 821-405-6
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Melting point
- 280 °C · 280 °C
- Boiling point
- 446.7 · 446.7±45.0 °C(Predicted)
- Density
- 1.804 · 1.804±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 2.54 · 2.54±0.20(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2933491090 · 2933491090
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933491090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-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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