Basic information
- CAS
344282-23-1- Standard SMILES
N#CC(CC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1- InChIKey
LYUMTAITXAMYOV-UHFFFAOYSA-N- Molecular formula
- C16H10Cl3NO
- Average molar mass
- 338.6 g/mol
- Monoisotopic mass
- 336.982797
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-4-(3,4-dichlorophenyl)-4-oxobutanenitrile
- IUPAC
- 2-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-4-oxobutanenitrile
- English name
- 2-(4-CHLOROPHENYL)-4-(3,4-DICHLOROPHENYL)-4-OXOBUTANENITRILE
- Molecular formula
- C16H10Cl3NO
- Molecular weight
- 338.62
Names & synonyms
2-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-4-oxobutanenitrile344282-23-1MFCD00664426AKOS0050982807J-622S2-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-4-oxo-butanenitrileBenzenebutanenitrile, 3,4-dichloro-α-(4-chlorophenyl)-γ-oxo-
Database identifiers
- CAS
344282-23-1- PubChem CID
- 5096695
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Boiling point
- 520.4 · 520.4±50.0 °C(Predicted)
- Density
- 1.384 · 1.384±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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