2-Chloro-4,7,8-trimethylquinoline
Basic information
- CAS
950037-24-8- Standard SMILES
Cc1ccc2c(C)cc(Cl)nc2c1C- InChIKey
OSCHOKMWJQRQQL-UHFFFAOYSA-N- Molecular formula
- C12H12ClN
- Average molar mass
- 205.68 g/mol
- Monoisotopic mass
- 205.0658271
Names & identifiers
- Preferred name
- 2-Chloro-4,7,8-trimethylquinoline
- IUPAC
- 2-chloro-4,7,8-trimethylquinoline
- English name
- 2-Chloro-4,7,8-trimethylquinoline
- Molecular formula
- C12H12ClN
- Molecular weight
- 205.68
Names & synonyms
2-chloro-4,7,8-trimethylquinoline950037-24-8MFCD09802172quinoline, 2-chloro-4,7,8-trimethyl-2-chloro-478-trimethylquinolineDTXSID50649706ALBB-025408SBB0178692-chloro-4,7,8-trimethyl-quinolineAKOS002683001SB70511UPCMLD0ENAT5978492:001
Show more names
2-chloro-4,7,8-trimethylquinoline(SALTDATA: FREE)
LS-08540ST079525SY168116EN300-29595G71223F311634Z235354627
Database identifiers
- CAS
950037-24-8- PubChem CID
- 25528752
- DTXSID
DTXSID50649706
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 333.9 · 333.9±37.0 °C(Predicted)
- Density
- 1.158 · 1.158±0.06 g/cm3(Predicted)
- pka
- 1.52 · 1.52±0.50(Predicted)
- InChI
- InChI=1S/C12H12ClN/c1-7-4-5-10-8(2)6-11(13)14-12(10)9(7)3/h4-6H,1-3H3
- InChIKey
- OSCHOKMWJQRQQL-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=C(C)C=2C)C(C)=CC=1Cl
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesAs with many quinoline derivatives, 2-chloro-4,7,8-trimethylquinoline may exhibit fluorescence and could be utilized in various applications, including as a dye or in the development of pharmaceuticals.
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Related reactions
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Compound notes
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