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| CAS No.: | 86-95-3 |
|---|---|
| Name: | 2,4-Quinolinediol |
| Article Data: | 93 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H7NO2 |
| Molecular Weight: | 161.16 |
| Synonyms: | 2,4-Quinolinediol(7CI);Carbostyril, 4-hydroxy- (6CI,8CI);2,4-Dihydroxyquinoline;4-Hydroxy-1,2-dihydro-2-quinolinone;4-Hydroxy-1H-quinolin-2-one;4-Hydroxy-2-quinolinone;4-Hydroxy-2-quinolone;4-Hydroxycarbostyril;4-Hydroxyquinolin-2(1H)-one;4-Hydroxyquinoline-2(1H)-one;NSC 12465;NSC 13962; |
| EINECS: | 201-711-0 |
| Density: | 1.376 g/cm3 |
| Melting Point: | >300 °C(lit.) |
| Boiling Point: | 303.8 °C at 760 mmHg |
| Flash Point: | 137.5 °C |
| Solubility: | Insoluble in water |
| Appearance: | very light brown powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 53.09000 |
| LogP: | 1.23370 |
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Chemistry
Molecule structure of 2(1H)-Quinolinone, 4-hydroxy- (CAS NO.86-95-3):
IUPAC Name: 2-Hydroxy-1H-quinolin-4-one
Molecular Weight: 161.15738 g/mol
Molecular Formula: C9H7NO2
Density: 1.376 g/cm3
Melting Point: >300 °C(lit.)
Boiling Point: 303.8 °C at 760 mmHg
Flash Point: 137.5 °C
Index of Refraction: 1.657
Molar Refractivity: 43.09 cm3
Molar Volume: 117 cm3
Polarizability: 17.08×10-24 cm3
Surface Tension: 60.7 dyne/cm
Enthalpy of Vaporization: 57.45 kJ/mol
Vapour Pressure: 0.000401 mmHg at 25 °C
XLogP3-AA: 1.4
H-Bond Donor: 2
H-Bond Acceptor: 3
Tautomer Count: 15
Exact Mass: 161.047678
MonoIsotopic Mass: 161.047678
Topological Polar Surface Area: 49.3
Heavy Atom Count: 12
Complexity: 235
Canonical SMILES: C1=CC=C2C(=C1)C(=O)C=C(N2)O
InChI: InChI=1S/C9H7NO2/c11-8-5-9(12)10-7-4-2-1-3-6(7)8/h1-5H,(H2,10,11,12)
InChIKey: HDHQZCHIXUUSMK-UHFFFAOYSA-N
EINECS: 201-711-0
Product Categories: Quinoline series; Quinolines, Quinazolines and derivatives ;Quinolines; API intermediates; Hydroxyquinolines; Quinoline
Uses
2(1H)-Quinolinone, 4-hydroxy- (CAS NO.86-95-3) is used as medicine intermediate.
Toxicity Data With Reference
| 1. | mma-sat 1 mg/plate | JNCIAM Journal of the National Cancer Institute. 60 (1978),405. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
RTECS: FG7300000
HazardClass: IRRITANT
Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Specification
2(1H)-Quinolinone, 4-hydroxy- (CAS NO.86-95-3) is also named as 2,4-Dihydroxyquinoline ; 2,4-Quinolinediol ; 4-Hydroxy-2-quinolinone ; 4-Hydroxy-2-quinolone ; 4-Hydroxycarbostyril ; 4-Hydroxyquinolin-2(1H)-one ; Hydroxycarbostyril ; NSC 12465 . 2(1H)-Quinolinone, 4-hydroxy- (CAS NO.86-95-3) is very light brown powder.