Basic information
- Standard SMILES
Cc1cc(O)c2ccccc2n1- InChIKey
NWINIEGDLHHNLH-UHFFFAOYSA-N- Molecular formula
- C10H9NO
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.06841391
Names & identifiers
- Preferred name
- 2-Methylquinolin-4-ol
- IUPAC
- 2-methyl-1H-quinolin-4-one
- English name
- 4-Hydroxy-2-methylquinoline
- Molecular formula
- C10H9NO
- Molecular weight
- 159.18
Names & synonyms
Show more names
Database identifiers
- CAS
607-67-0- PubChem CID
- 69089
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Melting point
- 234 · 234-236 °C(lit.)
- Boiling point
- 284.68 °C · 284.68°C (rough estimate)
- Density
- 1.1202 · 1.1202 (rough estimate)
- refractive index
- 1.607 · 1.6070 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 4.44 · 4.44±0.40(Predicted)
- color
- White to Light yellow
- Water Solubility
- Slightly soluble in water.
- λmax
- 317 nm · 317nm(CHCl3)(lit.)
- BRN
- 118320 · 118320
- InChI
- InChI=1S/C10H9NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H,1H3,(H,11,12)
- InChIKey
- NWINIEGDLHHNLH-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=CC=2)C(O)=CC=1C
- LogP
- 1.902 · 1.902 (est)
- CAS DataBase Reference
- 607 · 607-67-0(CAS DataBase Reference)
- NIST Chemistry Reference
- 4 · 4-Quinolinol, 2-methyl-(607-67-0)
- 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
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39-36/37/39-22
- WGK Germany
- 3 · 3
- HS Code
- 29334900 · 29334900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29334900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-36/37/39-22
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4-Hydroxy-2-methylquinoline is act as an intermediate in the synthesis of dequalinium chloride and as pharmaceutical intermediate.
Uses4-Hydroxy-2-methylquinoline can be used as an intermediate in the synthesis of a wide range of medicinally important compounds such as:Synthesis of 2-(quinolin-4-yloxy)acetamides as potent antitubercular agents.Synthesis of 2-arylethenylquinoline derivatives for the treatment of Alzheimer′s disease.Synthesis of 1,10-diethoxy-1H-pyrano[4,3-b]quinolones as antibacterial agents.Synthesis of phenylimidazole-pyrazolo[1,5-c]quinazolines as potent phophodiesterase 10A (PDE10A) inhibitors.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Additional notes
DefinitionChEBI: 2-Methyl-4-quinolinol is a member of quinolines.
Related reactions
Linked notes
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