2-Methylquinoline-3-carboxylic acid ethyl ester
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Basic information
- CAS
15785-08-7- Standard SMILES
CCOC(=O)c1cc2ccccc2nc1C- InChIKey
DUBPJEDOCJXVKG-UHFFFAOYSA-N- Molecular formula
- C13H13NO2
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.09462866
Names & identifiers
- Preferred name
- 2-Methylquinoline-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 2-methylquinoline-3-carboxylate
- English name
- 2-METHYL-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
- Molecular formula
- C13H13NO2
- Molecular weight
- 215.25
Names & synonyms
3-Quinolinecarboxylic acid, 2-methyl-, ethyl ester2-methylquinoline-3-carboxylic acid ethyl esterRefChem:476259802-252-4Ethyl 2-methylquinoline-3-carboxylate15785-08-72-Methyl-quinoline-3-carboxylic acid ethyl esterMFCD00195614MLS000075871SCHEMBL1034564HMS2401P23Ethyl2-methylquinoline-3-carboxylate
Show more names
BUTTPARK 19\04-62Ethyl 2-methylquinolin-3-carboxylateEthyl 2-Methyl-3-Quinolinecarboxylate2-methyl-3-quinolinecarboxylic acid ethyl esterEthyl 2-methylquinoline-3-carboxylate - [E71509]
AS-42633SMR000010554Z293182086TimTec1_000111A809877Oprea1_645974CHEMBL214673DTXSID20349443
Database identifiers
- CAS
15785-08-7- PubChem CID
- 647634
- DTXSID
DTXSID20349443- ChEMBL
CHEMBL214673- EC Number
- 802-252-4
- Nikkaji
- J1.947.517D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 69 · 69-70 °C
- Boiling point
- 308.7 · 308.7±22.0 °C(Predicted)
- Density
- 1.148 · 1.148±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 4.04 · 4.04±0.50(Predicted)
- color
- Light yellow to yellow
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41
- Safety Statements
- 26 · 26-39
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
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
This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.
Danger
H318 (95%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 3-Quinolinecarboxylic acid, 2-methyl-, ethyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesEye Dam. 1 (95%)
Safety data
- wgk
- 3
- hs_code
- 2933499090
- risk_code
- 41
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Hazard statements
- H318
- Precautionary statements
- P280-P305+P351+P338
Related reactions
1 records
Compound notes
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