4-Chloro-N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-(4-methoxyphenyl)benzamide
Basic information
- CAS
303094-06-6- Standard SMILES
COc1ccc(N(C(=O)c2ccc(Cl)cc2)C2C=CS(=O)(=O)C2)cc1- InChIKey
XMWFZTIHWMBBND-UHFFFAOYSA-N- Molecular formula
- C18H16ClNO4S
- Average molar mass
- 377.8 g/mol
- Monoisotopic mass
- 377.0488569
Names & identifiers
- Preferred name
- 4-Chloro-N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-(4-methoxyphenyl)benzamide
- IUPAC
- 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)benzamide
- English name
- 4-Chloro-N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-(4-methoxyphenyl)benzamide
- Molecular formula
- C18H16ClNO4S
- Molecular weight
- 377.84
Names & synonyms
4-chloro-N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-(4-methoxyphenyl)benzamide303094-06-6RefChem:521796685-899-34-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)benzamideOprea1_328508Oprea1_841271AKOS0018548924-chloro-N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)benzamideSR-01000005746SR-01000005746-1F0347-0636
Database identifiers
- CAS
303094-06-6- PubChem CID
- 4263295
- EC Number
- 685-899-3
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 599
Physicochemical properties
- Boiling point
- 628.781 · 628.781±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.413 · 1.413±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.345 · -2.345±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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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