(2,2')Biquinolinyl-4,4'-dicarboxylic acid dinonyl ester
Basic information
- CAS
1921-66-0- Standard SMILES
CCCCCCCCCOC(=O)c1cc(-c2cc(C(=O)OCCCCCCCCC)c3ccccc3n2)nc2ccccc12- InChIKey
NEYUQTLVYADCBC-UHFFFAOYSA-N- Molecular formula
- C38H48N2O4
- Average molar mass
- 596.8 g/mol
- Monoisotopic mass
- 596.36140802
Names & identifiers
- Preferred name
- (2,2')Biquinolinyl-4,4'-dicarboxylic acid dinonyl ester
- IUPAC
- nonyl 2-(4-nonoxycarbonylquinolin-2-yl)quinoline-4-carboxylate
- English name
- (2,2')Biquinolinyl-4,4'-dicarboxylic acid dinonyl ester
- Molecular formula
- C38H48N2O4
- Molecular weight
- 596.8
Names & synonyms
1921-66-0(2,2')BIQUINOLINYL-4,4'-DICARBOXYLIC ACID DINONYL ESTERRefChem:394299654-809-4Dinonyl [2,2'-biquinoline]-4,4'-dicarboxylateAE-848/32004053AKOS0015916852,2'-bis{4-[(nonyloxy)carbonyl]-quinoline}[2,2'-Biquinoline]-4,4'-dicarboxylic acid, 4,4'-dinonyl ester
Database identifiers
- CAS
1921-66-0- PubChem CID
- 4097326
- EC Number
- 654-809-4
Properties
Computed structural properties
- XLogP
- 11.8
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 21
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 755
Physicochemical properties
- Melting point
- 80 · 80-81 °C
- Boiling point
- 709.7 · 709.7±60.0 °C(Predicted)
- Density
- 1.086 · 1.086±0.06 g/cm3(Predicted)
- pka
- -0.61 · -0.61±0.61(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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]
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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