4-Quinolinecarboxylic acid, 3-hydroxy-2-methyl-

HCID 67024

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Basic information

CAS: 117-57-7
Standard SMILES: Cc1nc2ccccc2c(C(=O)O)c1O
InChIKey: RVGATDHHYVSTQG-UHFFFAOYSA-N
Molecular formula: C11H9NO3
Average molar mass: 203.197 g/mol
Monoisotopic mass: 203.05824315

Names & identifiers

Preferred name: 4-Quinolinecarboxylic acid, 3-hydroxy-2-methyl-
IUPAC: 3-Hydroxy-2-methylquinoline-4-carboxylic acid
English name: 3-Hydroxy-2-methyl-4-quinolinecarboxylic acid
Molecular formula: C11H9NO3
Molecular weight: 203.19

Names & synonyms

Oxyquinaldinecarboxylic acidTIMTEC-BB SBB0004173-Hydroxy -4-carboxylic acid3-Hydroxy-4-carboxyquinaldine3-Hydroxyquinaldine-4-Carboxylic3-Hydroxy-2-methyl cinchoninic acid3-HYDROXYQUINOLONE-4-CARBOXYLIC ACID3-Hydroxy-4-quinaldinecarboxylic acid2-Methyl-3-hydroxy-4-carboxyquinoline3-Hydroxy-2-methyl-4-chinolincarbonsure

Database identifiers

CAS: 117-57-7
PubChem CID: 67024
DTXSID: DTXSID5059458
EC Number: 204-198-1
Nikkaji: J69.000G

Properties

Physicochemical properties

Melting point: 235 °C · 235 °C (dec.) (lit.)
Boiling point: 341.49 °C · 341.49°C (rough estimate)
Density: 1.2621 · 1.2621 (rough estimate)
vapor pressure: 0 Pa · 0Pa at 25℃
refractive index: 1.495 · 1.4950 (estimate)
Flash point: 252 °C · 252 °C
storage temp.: Inert atmosphere,Room Temperature
solubility: 0.04 g/L · 0.04 g/L (20°C)
pka: 0.74 · 0.74±0.10(Predicted)
Appearance: Light yellow to yellow Solid
Water Solubility: 0.04 g/L · 0.04 g/L (20 ºC)
InChI: InChI=1S/C11H9NO3/c1-6-10(13)9(11(14)15)7-4-2-3-5-8(7)12-6/h2-5,13H,1H3,(H,14,15)
InChIKey: RVGATDHHYVSTQG-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2)C(C(O)=O)=C(O)C=1C
LogP: 2.9 · 2.9
CAS DataBase Reference: 117 · 117-57-7(CAS DataBase Reference)
EPA Substance Registry System: 4 · 4-Quinolinecarboxylic acid, 3-hydroxy-2-methyl- (117-57-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-37/39-36/37/39-22
WGK Germany: 1 · 1
TSCA: TSCA listed
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations: Active