Basic information
- CAS
14510-06-6- Standard SMILES
O=Cc1ccc2cccc(O)c2n1- InChIKey
SLBPIHCMXPQAIQ-UHFFFAOYSA-N- Molecular formula
- C10H7NO2
- Average molar mass
- 173.17 g/mol
- Monoisotopic mass
- 173.04767846
Overview
8-hydroxyquinoline-2-carbaldehyde is a hydroxyquinoline.
Names & identifiers
- Preferred name
- 8-Hydroxy-2-quinolinecarboxaldehyde
- IUPAC
- 8-hydroxyquinoline-2-carbaldehyde
- English name
- 8-Hydroxyquinoline-2-carboxaldehyde
- Molecular formula
- C10H7NO2
- Molecular weight
- 173.17
Names & synonyms
Show more names
Database identifiers
- CAS
14510-06-6- PubChem CID
- 599342
- DTXSID
DTXSID20344771- ChEMBL
CHEMBL2321986- ChEBI
CHEBI:183895- EC Number
- 627-898-2
- Nikkaji
- J102.443D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Melting point
- 97 · 97-100 °C
- Boiling point
- 392.2 · 392.2±22.0 °C(Predicted)
- Density
- 1.364 · 1.364±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 9.27 · 9.27±0.10(Predicted)
- form
- Crystalline Powder
- color
- Yellow
- BRN
- 127519 · 127519
- InChI
- InChI=1S/C10H7NO2/c12-6-8-5-4-7-2-1-3-9(13)10(7)11-8/h1-6,13H
- InChIKey
- SLBPIHCMXPQAIQ-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=CC=2O)C=CC=1C=O
- CAS DataBase Reference
- 14510 · 14510-06-6
- 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 · 26-36-37/39
- WGK Germany
- 3 · 3
- HS Code
- 29339900 · 29339900
- 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]
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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- 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
Uses8-Hydroxy-2-quinolinecarboxaldehyde (8-hydroxyquinoline-2-carbaldehyde) may be used in the preparation of:8-hydroxy-2-quinoline-1-aminopyrene by Schiff-base reaction with 1-aminopyrene(E)-2-((2-(pyridin-2-yl)hydrazono)methyl)quinolin-8-ol by coupling with 2-hydrazinopyridine8-hydroxyquinoline-2-carbaldehyde oxime2-[(8-Hydroxyquinoline)-2-methylaminoethyl]-β-D-glucopyranoside
General Description8-Hydroxy-2-quinolinecarboxaldehyde can be prepared from 2-methylquinolin-8-ol via oxidation using selenium dioxide.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Additional notes
DefinitionChEBI: 8-hydroxyquinoline-2-carbaldehyde is a hydroxyquinoline.
Related reactions
Compound notes
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