Methyl 2-phenyl-4-quinolinecarboxylate
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Basic information
- CAS
4546-48-9- Standard SMILES
COC(=O)c1cc(-c2ccccc2)nc2ccccc12- InChIKey
FDNMMBMNYRTPLC-UHFFFAOYSA-N- Molecular formula
- C17H13NO2
- Average molar mass
- 263.29 g/mol
- Monoisotopic mass
- 263.09462866
Names & identifiers
- Preferred name
- Methyl 2-phenyl-4-quinolinecarboxylate
- IUPAC
- methyl 2-phenylquinoline-4-carboxylate
- English name
- 2-PHENYL-QUINOLINE-4-CARBOXYLIC ACID METHYL ESTER
- Molecular formula
- C17H13NO2
- Molecular weight
- 263.29
Names & synonyms
Methyl 2-phenyl-4-quinolinecarboxylateRefChem:814600628-332-7methyl 2-phenylquinoline-4-carboxylate4546-48-9MFCD000067492-Phenyl-quinoline-4-carboxylic acid methyl ester4-Quinolinecarboxylic acid, 2-phenyl-, methyl esterCinchophen methyl derivativeOprea1_635797SCHEMBL2576382CHEMBL5199775
Show more names
Methyl 2-phenyl-4-quinolinecarboxylate 95%methyl 2-phenylquinoline-4-carboxylatemethyl2-PHENYL-QUINOLINE-4-CARBOXYLIC ACID METHYL ESTER ISO 9001：2015 REACH
DTXSID40346111HMS1589J05BBL009128methyl2-phenylquinoline-4-carboxylateSTK257431AKOS003235836methyl-2-phenyl-4-quinolinecarboxylateSB69673
Database identifiers
- CAS
4546-48-9- PubChem CID
- 609693
- DTXSID
DTXSID40346111- ChEMBL
CHEMBL5199775- EC Number
- 628-332-7
- Nikkaji
- J1.255.819H
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Melting point
- 60 · 60-62 °C(lit.)
- Boiling point
- 430.8 · 430.8±33.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 2.32 · 2.32±0.13(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
5 records
Compound notes
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