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Basic information
- CAS
3336-49-0- Standard SMILES
Oc1cncc2ccccc12- InChIKey
DXTUTXYCHFWRQC-UHFFFAOYSA-N- Molecular formula
- C9H7NO
- Average molar mass
- 145.161 g/mol
- Monoisotopic mass
- 145.05276384
Names & identifiers
- Preferred name
- 4-Isoquinolinol
- IUPAC
- Isoquinolin-4-ol
- English name
- Isoquinolin-4-ol
- Molecular formula
- C9H7NO
- Molecular weight
- 145.16
Names & synonyms
4-Isoquinololsoquinolin-4-ol4-IsoquinolinolIsoquinolin-4-olIsoquinolin-4-ol ISO 9001：2015 REACH
Database identifiers
- CAS
3336-49-0- PubChem CID
- 18750
- DTXSID
DTXSID20186976- UNII
- FSA7EJB9BG
- EC Number
- 687-912-8
- Nikkaji
- J1.131.858D
Properties
Physicochemical properties
- Melting point
- 223 · 223-225℃
- Boiling point
- 425.4 · 425.4±18.0 °C(Predicted)
- Density
- 1.26 · 1.26
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Deuterated Chloroform, Dichloromethane, Ehtyl Acetate
- form
- Solid
- pka
- 5.25 · 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
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 EJB9BG · FSA7EJB9BG
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280
- target organs
- Respiratory system
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · WGK 3
- HS Code
- 2933499090 · 2933499090
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- hs_code
- 2933499090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280
Chemistry & industry
Applications
Uses4-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.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers66 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Related reactions
6 records
Compound notes
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