Basic information
- CAS
1939-18-0- Standard SMILES
CC=CC(=O)Nc1cccc(C(F)(F)F)c1- InChIKey
YMUJNXBVYSCKFI-UHFFFAOYSA-N- Molecular formula
- C11H10F3NO
- Average molar mass
- 229.2 g/mol
- Monoisotopic mass
- 229.07144843
Names & identifiers
- Preferred name
- 3'-(Trifluoromethyl)-2-butenanilide
- IUPAC
- N-[3-(trifluoromethyl)phenyl]but-2-enamide
- English name
- 2-Butenamide,N-[3-(trifluoromethyl)phenyl]-
- Molecular formula
- C11H10F3NO
- Molecular weight
- 229.2
Names & synonyms
3'-(TRIFLUOROMETHYL)-2-BUTENANILIDERefChem:484594659-303-7N-[3-(trifluoromethyl)phenyl]but-2-enamideCBDivE_014128AKOS017261160ST505570372-Butenamide,N-[3-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
1939-18-0- PubChem CID
- 310100
- EC Number
- 659-303-7
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Melting point
- 100 · 100-103 °C
- Boiling point
- 318.798 · 318.798±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.255 · 1.255±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.601 · 13.601±0.70(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
P264, P270, P301+P317, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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