4-(4-Bromophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbonitrile
Basic information
- CAS
401936-69-4- Standard SMILES
CC1=C(C#N)C(c2ccc(Br)cc2)C(C#N)=C(C)N1- InChIKey
HBRVIPLOTXDCOP-UHFFFAOYSA-N- Molecular formula
- C15H12BrN3
- Average molar mass
- 314.18 g/mol
- Monoisotopic mass
- 313.02146
Names & identifiers
- Preferred name
- 4-(4-Bromophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbonitrile
- IUPAC
- 4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
Names & synonyms
4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbonitrileRefChem:513928401936-69-4659-041-34-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrileAKOS024320594ST504397934-(4-bromophenyl)-1,4-dihydro-2,6-dimethyl-pyridine-3,5-dicarbonitrile
Database identifiers
- CAS
401936-69-4- PubChem CID
- 4073554
- EC Number
- 659-041-3
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 494
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%)
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Compound notes
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