8-Chloro-2-hydroxyquinoline-4-carboxylic acid
Basic information
- CAS
30333-56-3- Standard SMILES
O=C(O)c1cc(=O)[nH]c2c(Cl)cccc12- InChIKey
UFSAYZLIVFQSAD-UHFFFAOYSA-N- Molecular formula
- C10H6ClNO3
- Average molar mass
- 223.61 g/mol
- Monoisotopic mass
- 223.0036207
Names & identifiers
- Preferred name
- 8-Chloro-2-hydroxyquinoline-4-carboxylic acid
- IUPAC
- 8-chloro-2-oxo-1H-quinoline-4-carboxylic acid
- English name
- 8-Chloro-2-hydroxy-quinoline-4-carboxylic acid
- Molecular formula
- C10H6ClNO3
- Molecular weight
- 223.61
Names & synonyms
8-chloro-2-hydroxyquinoline-4-carboxylic acid30333-56-3DTXSID90350006RefChem:311921DTXCID703010768-Chloro-2-hydroxy-quinoline-4-carboxylic acid8-chloro-2-oxo-1H-quinoline-4-carboxylic acidMFCD004875648-chloro-2-oxo-1,2-dihydroquinoline-4-carboxylic acid4-quinolinecarboxylic acid, 8-chloro-2-hydroxy-TIMTEC-BB SBB000629TimTec1_001310
Show more names
8-chloro-2-keto-1H-quinoline-4-carboxylic acid4-Quinolinecarboxylic acid, 8-chloro-1,2-dihydro-2-oxo-
Oprea1_238360Oprea1_454717MLS0008565218-CHLORO-2-HYDROXY-QUINOLINE-4-CARBOXYLICACID4-Quinolinecarboxylicacid, 8-chloro-1,2-dihydro-2-oxo-CHEMBL1465190SCHEMBL27218407HMS1537L12
Database identifiers
- CAS
30333-56-3- PubChem CID
- 670543
- DTXSID
DTXSID90350006- ChEMBL
CHEMBL1465190- EC Number
- 109-518-2
Properties
Computed structural properties
- XLogP
- 1.2
- 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
Experimental & physicochemical properties
Solubility>33.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 427.9 · 427.9±45.0 °C(Predicted)
- Density
- 1.549 · 1.549±0.06 g/cm3(Predicted)
- pka
- 2.39 · 2.39±0.20(Predicted)
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- HazardClass
- IRRITANT
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, P270, P301+P317, P330, 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%)
Safety data
- risk_code
- 22
- hazard_code
- Xi,Xn
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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