2-(2,5-Dimethylphenyl)quinoline-4-carbonyl chloride
Basic information
- CAS
1160264-72-1- Standard SMILES
Cc1ccc(C)c(-c2cc(C(=O)Cl)c3ccccc3n2)c1- InChIKey
PLRPMBXWWFXNFY-UHFFFAOYSA-N- Molecular formula
- C18H14ClNO
- Average molar mass
- 295.8 g/mol
- Monoisotopic mass
- 295.0763918
Names & identifiers
- Preferred name
- 2-(2,5-Dimethylphenyl)quinoline-4-carbonyl chloride
- IUPAC
- 2-(2,5-dimethylphenyl)quinoline-4-carbonyl chloride
- English name
- 2-(2,5-dimethylphenyl)quinoline-4-carbonyl chloride
- Molecular formula
- C18H14ClNO
- Molecular weight
- 295.76
Names & synonyms
2-(2,5-DIMETHYLPHENYL)QUINOLINE-4-CARBONYL CHLORIDE1160264-72-1MFCD034210504-quinolinecarbonyl chloride, 2-(2,5-dimethylphenyl)-DTXSID601225524ALBB-010841BBL014511STL196920AKOS005172992VS-04342H258802-(2,5-Dimethylphenyl)-4-quinolinecarbonyl chloride
Show more names
2-(2,5-DIMETHYLPHENYL)QUINOLINE-4-CARBONYLCHLORIDE
Database identifiers
- CAS
1160264-72-1- PubChem CID
- 46779232
- DTXSID
DTXSID601225524
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Boiling point
- 436 · 436.0±33.0 °C(Predicted)
- Density
- 1.227 · 1.227±0.06 g/cm3(Predicted)
- pka
- 1.72 · 1.72±0.33(Predicted)
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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