Basic information
- CAS
38707-70-9- Standard SMILES
O=Cc1cccc2cccnc12- InChIKey
OVZQVGZERAFSPI-UHFFFAOYSA-N- Molecular formula
- C10H7NO
- Average molar mass
- 157.17 g/mol
- Monoisotopic mass
- 157.05276384
Names & identifiers
- Preferred name
- 8-Quinolinecarboxaldehyde
- IUPAC
- quinoline-8-carbaldehyde
- English name
- 8-Quinolinecarbaldehyde
- Molecular formula
- C10H7NO
- Molecular weight
- 157.17
Names & synonyms
38707-70-98-Quinolinecarboxaldehyde8-FormylquinolineCCRIS 69684XS4PNS258DTXSID10192001RefChem:107346DTXCID80114492quinoline-8-carbaldehyde8-QuinolinecarbaldehydeQuinoline-8-carboxaldehydeMFCD00805837
Show more names
Quinoline-8-carbaldhydeAKOS AUF01716AKOS BBS-00005342N-BOC-ALLYLGLYCINECHEMBRDG-BB 4300502IFLAB-BB F0178-0024RARECHEM AK ML 0564RARECHEM AM LA 0004
SCHEMBL194281CS-B1077AKOS000264863AC-2609EN300-267158-Quinoline carbaldehydeF0178-00248-Quinolinecarbaldehyd
Database identifiers
- CAS
38707-70-9- PubChem CID
- 170103
- DTXSID
DTXSID10192001- UNII
- 4XS4PNS258
- EC Number
- 670-390-0
- Nikkaji
- J602.241C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 95 · 95-96°C
- Boiling point
- 314.3 · 314.3±15.0 °C(Predicted)
- Density
- 1.223 · 1.223±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 3.45 · 3.45±0.17(Predicted)
- color
- Light orange to Yellow to Green
- Water Solubility
- Insoluble in water.
- Sensitive
- Air Sensitive
- BRN
- 113039 · 113039
- InChI
- InChI=1S/C10H7NO/c12-7-9-4-1-3-8-5-2-6-11-10(8)9/h1-7H
- InChIKey
- OVZQVGZERAFSPI-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=CC=2C=O)C=CC=1
- CAS DataBase Reference
- 38707 · 38707-70-9(CAS DataBase Reference)
- FDA UNII
- 4 XS4PNS258 · 4XS4PNS258
- Symbol(GHS)
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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29334900
- risk_code
- 36/37/38-36/38-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-36/37
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesQuinoline-8-carboxaldehyde is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
24 records
Compound notes
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