6-Fluoro-2-methylquinoline-4-carboxylic acid
Basic information
- CAS
716-03-0- Standard SMILES
Cc1cc(C(=O)O)c2cc(F)ccc2n1- InChIKey
KXMSETXWKPJCQS-UHFFFAOYSA-N- Molecular formula
- C11H8FNO2
- Average molar mass
- 205.18 g/mol
- Monoisotopic mass
- 205.05390666
Names & identifiers
- Preferred name
- 6-Fluoro-2-methylquinoline-4-carboxylic acid
- IUPAC
- 6-fluoro-2-methylquinoline-4-carboxylic acid
- English name
- 6-Fluoro-2-methylquinoline-4-carboxylic acid
- Molecular formula
- C11H8FNO2
- Molecular weight
- 205.19
Names & synonyms
6-fluoro-2-methylquinoline-4-carboxylic acid716-03-0DTXSID70351177RefChem:308374DTXCID10302244890-620-56-Fluoro-2-methyl-quinoline-4-carboxylic acidMFCD027415796-fluoro-2-methyl-4-quinolinecarboxylic acidTimTec1_007000Oprea1_386076Oprea1_779505
Show more names
AURORA 23206CHEMBRDG-BB 4003776OTAVA-BB BB71109502244-Quinolinecarboxylic acid, 6-fluoro-2-Methyl-6-fluoro-2-methylquinoline-4-carboxylic acid(SALTDATA: FREE)
orb3031000SCHEMBL2343600KXMSETXWKPJCQS-UHFFFAOYSA-NHMS1553O04HMS3447C18Fr13054ALBB-004735BBL013249
Database identifiers
- CAS
716-03-0- PubChem CID
- 693106
- DTXSID
DTXSID70351177- EC Number
- 890-620-5
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Melting point
- 250 °C · 250 °C
- Boiling point
- 348 · 348.0±37.0 °C(Predicted)
- Density
- 1.369 · 1.369±0.06 g/cm3(Predicted)
- pka
- 1.01 · 1.01±0.30(Predicted)
- Hazard Codes
- Xi
- 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.
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Applications
Uses6-Fluoro-2-methylquinoline-4-carboxylic Acid is a useful compound for preparation of fluorinated isatins and its heterocyclic derivatives.
Related reactions
2 records
Compound notes
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