Basic information
- CAS
302904-32-1- Standard SMILES
N#CC(C#N)C(CC(=O)c1ccc(Cl)s1)c1c(Cl)cccc1Cl- InChIKey
YTTANKTZJAJSFV-UHFFFAOYSA-N- Molecular formula
- C16H9Cl3N2OS
- Average molar mass
- 383.7 g/mol
- Monoisotopic mass
- 381.950117
Names & identifiers
- Preferred name
- 2-(3-(5-Chloro-2-thienyl)-1-(2,6-dichlorophenyl)-3-oxopropyl)malononitrile
- IUPAC
- 2-[3-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)-3-oxopropyl]propanedinitrile
Names & synonyms
2-(3-(5-CHLORO-2-THIENYL)-1-(2,6-DICHLOROPHENYL)-3-OXOPROPYL)MALONONITRILERefChem:454918302904-32-1663-802-5AKOS024423892
Database identifiers
- CAS
302904-32-1- PubChem CID
- 3608852
- EC Number
- 663-802-5
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 514
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…