2-Methylquinoline-6-carboxaldehyde
Basic information
- CAS
108166-03-6- Standard SMILES
Cc1ccc2cc(C=O)ccc2n1- InChIKey
WAPQHBBEWPVBTO-UHFFFAOYSA-N- Molecular formula
- C11H9NO
- Average molar mass
- 171.19 g/mol
- Monoisotopic mass
- 171.06841391
Names & identifiers
- Preferred name
- 2-Methylquinoline-6-carboxaldehyde
- IUPAC
- 2-methylquinoline-6-carbaldehyde
- English name
- 2-Methyl-6-quinolinecarbaldehyde
- Molecular formula
- C11H9NO
- Molecular weight
- 171.2
Names & synonyms
2-Methylquinoline-6-carboxaldehydeRefChem:476264640-352-82-methylquinoline-6-carbaldehyde108166-03-62-Methyl-6-quinolinecarbaldehyde2-Methyl-6-quinolinecarboxaldehyde6-Quinolinecarboxaldehyde, 2-methyl-MFCD080605022-Methyl-quinoline-6-carbaldehyde6-Formyl-2-methylquinolineSCHEMBL4587005
Show more names
2-Methyl-6-quinolinecarbaldehyd2-Methylquinoline-6-carboxaldehyde97%2-Methylquinoline-6-carboxaldehyde 97%
SCHEMBL6211410SCHEMBL29935754SCHEMBL314285812-Methyl-quinolin-6-carbaldehydeDTXSID60428721WAPQHBBEWPVBTO-UHFFFAOYSA-NSBB066318AKOS006344977
Database identifiers
- CAS
108166-03-6- PubChem CID
- 7537486
- DTXSID
DTXSID60428721- EC Number
- 640-352-8
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Melting point
- 96 · 96-99
- Boiling point
- 315.6 · 315.6±22.0 °C(Predicted)
- Density
- 1.183 · 1.183±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- Solid
- pka
- 4.97 · 4.97±0.43(Predicted)
- color
- Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 22 · 22-26-36/37/39
- HazardClass
- 6.1 · 6.1
- HS Code
- 2933499090 · 2933499090
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
Danger
H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 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 CategoriesAcute Tox. 4 (66.7%)
Safety data
- hs_code
- 2933499090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 22-26-36/37/39
- hazard_class
- 6.1
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
Loading…