3-Methylquinoline-4-carboxylic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
1873-51-4- Standard SMILES
Cc1cnc2ccccc2c1C(=O)O- InChIKey
KXCBWEJWVBHYKF-UHFFFAOYSA-N- Molecular formula
- C11H9NO2
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.06332853
Names & identifiers
- Preferred name
- 3-Methylquinoline-4-carboxylic acid
- IUPAC
- 3-methylquinoline-4-carboxylic acid
- English name
- 3-METHYLQUINOLINE-4-CARBOXYLIC ACID
- Molecular formula
- C11H9NO2
- Molecular weight
- 187.19
Names & synonyms
3-Methylquinoline-4-carboxylic acid1873-51-4DTXSID20345425RefChem:94959DTXCID70296498865-657-5KXCBWEJWVBHYKF-UHFFFAOYSA-N3-Methyl-4-quinolinecarboxylic acid4-Quinolinecarboxylicacid, 3-methyl-3-METHYLQUINOLINE-4-CARBOXYLICACIDOprea1_593712AC-907/30063036
Show more names
4-Quinolinecarboxylic acid, 3-methyl-
SCHEMBL5759350BAA87351MFCD01646087SBB090561AKOS0062795533-Methyl-4-quinolinecarboxylic acid #SB68103SY267513
Database identifiers
- CAS
1873-51-4- PubChem CID
- 604440
- DTXSID
DTXSID20345425- EC Number
- 865-657-5
Properties
Computed structural propertiesFilling in
- 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
- 250 · 250-252 °C
- Boiling point
- 356.9 · 356.9±22.0 °C(Predicted)
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- pka
- 1.05 · 1.05±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-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]
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
- H319-H335-H315-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…