Basic information
- CAS
477865-22-8- Standard SMILES
N#CC(Sc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1- InChIKey
FPLHMIOVFGPZTJ-UHFFFAOYSA-N- Molecular formula
- C14H7Cl2F3N2S
- Average molar mass
- 363.2 g/mol
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetonitrile
- IUPAC
- 2-(4-chlorophenyl)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetonitrile
- English name
- 2-(4-Chlorophenyl)-2-([3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl)acetonitrile
- Molecular formula
- C14H7Cl2F3N2S
- Molecular weight
- 363.18
Names & synonyms
477865-22-82-(4-chlorophenyl)-2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetonitrile2-(4-chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetonitrile2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-2-(4-chlorophenyl)acetonitrileBionet1_001504C14H7Cl2F3N2SHMS572H06MFCD00243444AKOS0050827351L-0352-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-2-(4-chlorophenyl)acetonitrile2-(4-chlorophenyl)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetonitrile
Show more names
Benzeneacetonitrile, 4-chloro-α-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-2-(4-Chlorophenyl)-2-([3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl)acetonitrile
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 62 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 418
Physicochemical properties
- Boiling point
- 405.3 · 405.3±45.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- -3.08 · -3.08±0.39(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
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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