2,6-Dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile
Basic information
- CAS
67438-96-4- Standard SMILES
CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C(C#N)=C(C)N1- InChIKey
GHHCDXCIGHDXQB-UHFFFAOYSA-N- Molecular formula
- C15H12N4O2
- Average molar mass
- 280.28 g/mol
- Monoisotopic mass
- 280.09602564
Names & identifiers
- Preferred name
- 2,6-Dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile
- IUPAC
- 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile
Names & synonyms
2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile67438-96-4Oprea1_576134SCHEMBL7815167DTXSID80384754AKOS024326516ST504501182,6-DIMETHYL-4-(4-NITRO-PHENYL)-1,4-DIHYDRO-PYRIDINE-3,5-DICARBONITRILE
Database identifiers
- CAS
67438-96-4- PubChem CID
- 2818293
- DTXSID
DTXSID80384754- EC Number
- 167-516-7
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 577
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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