Basic information
- CAS
301306-01-4- Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(-c2ccc(Cl)c(Cl)c2)o1- InChIKey
BKNUVXKXOOCEGP-UHFFFAOYSA-N- Molecular formula
- C23H23Cl2NO5
- Average molar mass
- 464.3 g/mol
- Monoisotopic mass
- 463.0953282
Names & identifiers
- Preferred name
- Diethyl 4-[5-(3,4-dichlorophenyl)-2-furyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
- IUPAC
- diethyl 4-[5-(3,4-dichlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- diethyl 4-[5-(3,4-dichlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- Molecular formula
- C23H23Cl2NO5
- Molecular weight
- 464.34
Names & synonyms
301306-01-4diethyl 4-[5-(3,4-dichlorophenyl)-2-furyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylateDIETHYL 4-(5-(3,4-DICHLOROPHENYL)-2-FURYL)-2,6-DIMETHYL-1,4-DIHYDRO-3,5-PYRIDINEDICARBOXYLATERefChem:587163652-839-2diethyl 4-[5-(3,4-dichlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateDiethyl 4-(5-(3,4-dichlorophenyl)furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateOprea1_186259Oprea1_610799STK094123AKOS000533789ST50034251
Show more names
3,5-Pyridinedicarboxylic acid, 4-[5-(3,4-dichlorophenyl)-2-furanyl]-1,4-dihydro-2,6-dimethyl-, 3,5-diethyl ester
SR-01000492867SR-01000492867-13,5-diethyl 4-[5-(3,4-dichlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateethyl 4-[5-(3,4-dichlorophenyl)(2-furyl)]-5-(ethoxycarbonyl)-2,6-dimethyl-1,4- dihydropyridine-3-carboxylate
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 725
Physicochemical properties
- Boiling point
- 569.3 · 569.3±50.0 °C(Predicted)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- pka
- 2.87 · 2.87±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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