4-Quinolinecarboxaldehyde
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Basic information
- CAS
4363-93-3- Standard SMILES
O=Cc1ccnc2ccccc12- InChIKey
MGCGJBXTNWUHQE-UHFFFAOYSA-N- Molecular formula
- C10H7NO
- Average molar mass
- 157.17 g/mol
- Monoisotopic mass
- 157.05276384
Overview
quinoline-4-carbaldehyde has been reported in Nicotiana tabacum with data available.
Names & identifiers
- Preferred name
- 4-Quinolinecarboxaldehyde
- IUPAC
- quinoline-4-carbaldehyde
- English name
- 4-Quinolinecarboxaldehyde
- Molecular formula
- C10H7NO
- Molecular weight
- 157.17
Names & synonyms
Quinoline-4-carbaldehyde4-Quinolinecarboxaldehyde4363-93-33A0K4YX051NSC-1213DTXSID50195899RefChem:178259DTXCID40118390224-453-04-QuinolinecarbaldehydeCinchoninaldehydeQuinoline-4-carboxaldehyde
Show more names
4-fomylquinolineAKOS BBS-000053344-QuinolinealdehydeTIMTEC-BB SBB004008RARECHEM AQ NN 0218Compound F0394-0013QUINOLINE-4-ALDEHYDE
4-FormylquinolineMFCD000067814quinolinecarboxaldehyde4-QUINOLINYL ALDEHYDESCHEMBL333756NSC 1213AKOS000270282CS-W007672
Database identifiers
- CAS
4363-93-3- PubChem CID
- 78072
- DTXSID
DTXSID50195899- ChEMBL
CHEMBL1887130- UNII
- 3A0K4YX051
- EC Number
- 224-453-0
- Nikkaji
- J205.746H
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- 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
- 45 · 45-52 °C (lit.)
- Boiling point
- 131 · 131-133°C 5mm
- Density
- 1.1599 · 1.1599 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 2.95 · 2.95±0.13(Predicted)
- form
- Crystalline Powder, Chunks, or Solid
- color
- Off-white to yellow-brown
- Water Solubility
- Slightly soluble in water.
- Sensitive
- Air Sensitive
- BRN
- 113072 · 113072
- InChI
- InChI=1S/C10H7NO/c12-7-8-5-6-11-10-4-2-1-3-9(8)10/h1-7H
- InChIKey
- MGCGJBXTNWUHQE-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=CC=2)C(C=O)=CC=1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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 46 reports by companies from 6 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
- F
- 10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29334900
- risk_code
- 37/38-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25-36-26-36/37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H335
- Hazard Classifications
- Skin Irrit. 2STOT SE 3
- Precautionary statements
Chemistry & industry
Applications
OccurrenceThe common presence of 4-quinolinecarboxaldehyde in honey from Galicia (northwest of Spain). As opposed to other quinoline carboxylic acid derivatives, the 4- quinolinecarboxaldehyde species has not been correlated with the anti-diabetic properties of honey; nevertheless, it appears to be active against intestinal bacteria.
Uses4-Quinolinecarboxaldehyde was used in the synthesis of lepidylamines. It also shows antimicrobial activity toward human intestinal bacteria such as Clostridium perfringens.
Upstream & downstream products
Upstream raw materials
Related reactions
139 records
Compound notes
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