Basic information
- CAS
86408-10-8- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(F)cc1- InChIKey
ZDYBFSOIKXOITC-UHFFFAOYSA-N- Molecular formula
- C17H18FNO4
- Average molar mass
- 319.33 g/mol
- Monoisotopic mass
- 319.12198622
Names & identifiers
- Preferred name
- Dimethyl 4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- dimethyl 4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- dimethyl 4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
- Molecular formula
- C17H18FNO4
- Molecular weight
- 319.33
Names & synonyms
Dimethyl 4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate86408-10-83,5-dimethyl 4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylatedimethyl 4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylateOprea1_641826CHEMBL304522SCHEMBL7879285GEO-03549STK861968AKOS001063050ST098520AB00095621-01
Show more names
4-(4-FLUORO-PH)-2,6-DIMETHYL-1,4-2H-PYRIDINE-3,5-DICARBOXYLIC ACID DI-ME ESTERdimethyl 4-(4-flourophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate4-(4-Fluoro-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester3,5-Pyridinedicarboxylic acid, 4-(4-fluorophenyl)-1,4-dihydro-2,6-dimethyl-, 3,5-dimethyl ester
AE-842/33707025SR-01000218892SR-01000218892-1Z56884899
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 521
Experimental & physicochemical properties
LogP0.82
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%)
Chemistry & industry
Suppliers4 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…