| Identification | Back Directory | [Name]
Isoquinolin-4-ol | [CAS]
3336-49-0 | [Synonyms]
4-Isoquinolol
4-Isoquinolinol
soquinolin-4-ol
Isoquinolin-4-ol
Isoquinolin-4-ol ISO 9001：2015 REACH | [Molecular Formula]
C9H7NO | [MDL Number]
MFCD00234514
| [MOL File]
3336-49-0.mol | [Molecular Weight]
145.16 |
| Chemical Properties | Back Directory | [Melting point ]
223-225℃ | [Boiling point ]
425.4±18.0 °C(Predicted) | [density ]
1.26 | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Deuterated Chloroform, Dichloromethane, Ehtyl Acetate | [form ]
Solid | [pka]
5.25±0.40(Predicted) | [color ]
Off White | [InChI]
1S/C9H7NO/c11-9-6-10-5-7-3-1-2-4-8(7)9/h1-6,11H | [InChIKey]
DXTUTXYCHFWRQC-UHFFFAOYSA-N | [SMILES]
Oc1cncc2ccccc12 |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
22 | [WGK Germany ]
WGK 3 | [HS Code ]
2933499090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
4-?Isoquinolinol is a metabolite of Isoquinoline (I874930) and has a high anti-radical, hypnotic-sedative and myorelaxant activities. 4-?Isoquinolinol is also an impurity of 1-Phenyl-2,3-dihydroisoquinolin-4(1H)-one Hydrochloride (P309050), which is a useful synthetic intermediate in the synthesis of cis-Hydroxy Solifenacin (H953525) and cis-Hydroxy Solifenacin N-Oxide (H953485); both metabolites of Solifenacin (S676700, HCl) which is a muscarinic M3 receptor antagonist and is used in treatment of urinary incontinence. | [Synthesis Reference(s)]
Journal of the American Chemical Society, 69, p. 1946, 1947 DOI: 10.1021/ja01200a032 |
|
|