Isopropyl 2-(4-chlorophenyl)-4-quinolinecarboxylate
Basic information
- CAS
355433-91-9- Standard SMILES
CC(C)OC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12- InChIKey
VQFNGEZVFCPUHL-UHFFFAOYSA-N- Molecular formula
- C19H16ClNO2
- Average molar mass
- 325.8 g/mol
- Monoisotopic mass
- 325.0869564
Names & identifiers
- Preferred name
- Isopropyl 2-(4-chlorophenyl)-4-quinolinecarboxylate
- IUPAC
- propan-2-yl 2-(4-chlorophenyl)quinoline-4-carboxylate
- English name
- isopropyl 2-(4-chlorophenyl)-4-quinolinecarboxylate
- Molecular formula
- C19H16ClNO2
- Molecular weight
- 325.79
Names & synonyms
355433-91-9isopropyl 2-(4-chlorophenyl)-4-quinolinecarboxylateRefChem:792127632-354-2Isopropyl 2-(4-chlorophenyl)quinoline-4-carboxylatepropan-2-yl 2-(4-chlorophenyl)quinoline-4-carboxylateOprea1_352750STK253120AKOS003285567ST50854856AK-918/41198120SR-01000494599
Show more names
4-Quinolinecarboxylic acid, 2-(4-chlorophenyl)-, 1-methylethyl ester
SR-01000494599-1methylethyl 2-(4-chlorophenyl)quinoline-4-carboxylate
Database identifiers
- CAS
355433-91-9- PubChem CID
- 698744
- EC Number
- 632-354-2
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 406
Physicochemical properties
- Boiling point
- 469.2 · 469.2±40.0 °C(Predicted)
- Density
- 1.228 · 1.228±0.06 g/cm3(Predicted)
- pka
- 2.37 · 2.37±0.33(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H413-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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