Basic information
- CAS
303094-11-3- Standard SMILES
Cc1cccc(N(C(=O)c2ccccc2F)C2C=CS(=O)(=O)C2)c1- InChIKey
PIKRQQGITFNPKO-UHFFFAOYSA-N- Molecular formula
- C18H16FNO3S
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.08349271
Names & identifiers
- Preferred name
- N-(1,1-Dioxido-2,3-dihydro-3-thienyl)-2-fluoro-N-(3-methylphenyl)benzamide
- IUPAC
- N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-N-(3-methylphenyl)benzamide
- English name
- N-(1,1-Dioxido-2,3-dihydro-3-thienyl)-2-fluoro-N-(3-methylphenyl)benzamide
- Molecular formula
- C18H16FNO3S-2
- Molecular weight
- 345.39
Names & synonyms
N-(1,1-DIOXIDO-2,3-DIHYDRO-3-THIENYL)-2-FLUORO-N-(3-METHYLPHENYL)BENZAMIDE303094-11-3RefChem:823309685-897-2Oprea1_172558AKOS001595295N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-N-(3-methylphenyl)benzamideSR-01000405321SR-01000405321-1
Database identifiers
- CAS
303094-11-3- PubChem CID
- 2856901
- EC Number
- 685-897-2
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 598
Physicochemical properties
- Boiling point
- 587.092 · 587.092±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.371 · 1.371±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.046 · -2.046±0.20(predicted)
- Hazard statements
- 413 · H413
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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 CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
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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