4-(Quinolin-8-YL)benzoic acid
Basic information
- CAS
216059-95-9- Standard SMILES
O=C(O)c1ccc(-c2cccc3cccnc23)cc1- InChIKey
ZHVGZDKFCXKGQH-UHFFFAOYSA-N- Molecular formula
- C16H11NO2
- Average molar mass
- 249.26 g/mol
- Monoisotopic mass
- 249.07897859
Names & identifiers
- Preferred name
- 4-(Quinolin-8-YL)benzoic acid
- IUPAC
- 4-quinolin-8-ylbenzoic acid
- English name
- 4-(Quinolin-8-yl)benzoic acid
- Molecular formula
- C16H11NO2
- Molecular weight
- 249.26
Names & synonyms
4-(QUINOLIN-8-YL)BENZOIC ACID216059-95-94-quinolin-8-ylbenzoic AcidBenzoic acid,4-(8-quinolinyl)-SCHEMBL2952081DTXSID704005384-(Quinolin-8-yl )benzoic acidRIA059954-(QUINOLIN-8-YL)BENZOICACIDAKOS017565245DB-294875EN300-210888
Show more names
4-(8-Quinolinyl)benzoic acidBenzoic acid, 4-(8-quinolinyl)-
A1-138936Z1436487315
Database identifiers
- CAS
216059-95-9- PubChem CID
- 4188965
- DTXSID
DTXSID70400538- EC Number
- 186-773-6
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Boiling point
- 449.7 · 449.7±33.0 °C(Predicted)
- Density
- 1.28 · 1.280±0.06 g/cm3(Predicted)
- pka
- 3.65 · 3.65±0.10(Predicted)
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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