2-cyano-N-{4-[(difluoromethyl)sulfanyl]phenyl}acetamide
Basic information
- CAS
402480-52-8- Standard SMILES
N#CCC(=O)Nc1ccc(SC(F)F)cc1- InChIKey
LPJHGYHDEVGPTG-UHFFFAOYSA-N- Molecular formula
- C10H8F2N2OS
- Average molar mass
- 242.25 g/mol
- Monoisotopic mass
- 242.03254038
Names & identifiers
- Preferred name
- 2-cyano-N-{4-[(difluoromethyl)sulfanyl]phenyl}acetamide
- IUPAC
- 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
- English name
- Acetamide, 2-cyano-N-[4-[(difluoromethyl)thio]phenyl]-
- Molecular formula
- C10H8F2N2OS
- Molecular weight
- 242.25
Names & synonyms
2-cyano-N-{4-[(difluoromethyl)sulfanyl]phenyl}acetamide402480-52-82-Cyano-N-(4-difluoromethylsulfanyl-phenyl)-acetamide2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]acetamideCRA48052AKOS000115268EN300-01287G34885Z56790584Acetamide, 2-cyano-N-[4-[(difluoromethyl)thio]phenyl]-
Database identifiers
- CAS
402480-52-8- PubChem CID
- 2321958
- EC Number
- 180-961-1
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Boiling point
- 415.5 · 415.5±45.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 4.73 · 4.73±0.10(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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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