6-Quinolinecarbaldehyde
Basic information
- CAS
4113-04-6- Standard SMILES
O=Cc1ccc2ncccc2c1- InChIKey
VUAOIXANWIFYCU-UHFFFAOYSA-N- Molecular formula
- C10H7NO
- Average molar mass
- 157.17 g/mol
- Monoisotopic mass
- 157.05276385
Names & identifiers
- Preferred name
- 6-Quinolinecarbaldehyde
- IUPAC
- quinoline-6-carbaldehyde
- English name
- 6-Quinolinecarbaldehyde
- Molecular formula
- C10H7NO
- Molecular weight
- 157.17
Names & synonyms
6-QuinolinecarbaldehydeRefChem:544310689-110-3Quinoline-6-carbaldehyde6-Quinolinecarboxaldehyde4113-04-6quinoline-6-carboxaldehydeMFCD008058366-FORMYLQUINOLINE6-quinolinemethanalQuinolin-6-carbaldehydeRARECHEM AK ML 0559
Show more names
inecarbaLAKOS AUF01714AKOS BBS-00005338
DTXSID60354177STK346857AC-7403EN300-009956-quinoline carboxaldehyde6-FORMYL-1-AZANAPHTHALENEAM20051168SCHEMBL496860
Database identifiers
- CAS
4113-04-6- PubChem CID
- 765653
- DTXSID
DTXSID60354177- EC Number
- 689-110-3
- Nikkaji
- J550.329I
Properties
Computed structural properties
- XLogP
- 1.6
- 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
- 74 · 74-75°C
- Boiling point
- 314.3 · 314.3±15.0 °C(Predicted)
- Density
- 1.223 · 1.223±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- powder to crystal
- pka
- 4.13 · 4.13±0.10(Predicted)
- color
- White to Yellow to Green
- InChI
- 1S/C10H7NO/c12-7-8-3-4-10-9(6-8)2-1-5-11-10/h1-7H
- InChIKey
- VUAOIXANWIFYCU-UHFFFAOYSA-N
- SMILES
- O=Cc1ccc2ncccc2c1
- CAS DataBase Reference
- 4113 · 4113-04-6(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
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 (80%): 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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (80%)
Safety data
- wgk
- WGK 3
- hs_code
- 29339900
- risk_code
- 36/37/38-36/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P501-P270-P264-P301+P312+P330
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
52 records
Compound notes
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