6-Methyl-8-quinolinecarboxylic acid
Basic information
- CAS
55706-57-5- Standard SMILES
Cc1cc(C(=O)O)c2ncccc2c1- InChIKey
UUDPHSBAQDGNLA-UHFFFAOYSA-N- Molecular formula
- C11H9NO2
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.06332853
Names & identifiers
- Preferred name
- 6-Methyl-8-quinolinecarboxylic acid
- IUPAC
- 6-methylquinoline-8-carboxylic acid
- English name
- 6-Methylquinoline-8-carboxylic acid
- Molecular formula
- C11H9NO2
- Molecular weight
- 187.19
Names & synonyms
6-methylquinoline-8-carboxylic acid55706-57-56-Methyl-8-quinolinecarboxylic acidCCRIS 6960DTXSID40204242RefChem:543956DTXCID40126733867-554-0MFCD02752436SCHEMBL218162946-methylquinoline-8-carboxylicacidAKOS022176598
Show more names
8-Quinolinecarboxylic acid, 6-methyl-
DS-7733SB67679SY114964CS-0148785S11049EN300-6482001A870119FCA70657
Database identifiers
- CAS
55706-57-5- PubChem CID
- 150663
- DTXSID
DTXSID40204242- EC Number
- 867-554-0
- Nikkaji
- J363.945B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 169 °C · 169 °C
- Boiling point
- 392.7 · 392.7±22.0 °C(Predicted)
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -2.26 · -2.26±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-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
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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