N-(4-Ethoxyphenyl)-2-fluorobenzamide
Basic information
- CAS
331445-15-9- Standard SMILES
CCOc1ccc(NC(=O)c2ccccc2F)cc1- InChIKey
LCQDPQSCVGBSHT-UHFFFAOYSA-N- Molecular formula
- C15H14FNO2
- Average molar mass
- 259.27 g/mol
- Monoisotopic mass
- 259.10085685
Names & identifiers
- Preferred name
- N-(4-Ethoxyphenyl)-2-fluorobenzamide
- IUPAC
- N-(4-ethoxyphenyl)-2-fluorobenzamide
- English name
- N-(4-ethoxyphenyl)-2-fluorobenzamide
- Molecular formula
- C15H14FNO2
- Molecular weight
- 259.28
Names & synonyms
N-(4-ethoxyphenyl)-2-fluorobenzamide331445-15-9RefChem:827559665-126-6Cambridge id 5257383Oprea1_644036Oprea1_874008STK027117AKOS002956451AO-548/09791054Benzamide, N-(4-ethoxyphenyl)-2-fluoro-
Database identifiers
- CAS
331445-15-9- PubChem CID
- 791202
- EC Number
- 665-126-6
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Boiling point
- 315.5 · 315.5±27.0 °C(Predicted)
- Density
- 1.217 · 1.217±0.06 g/cm3(Predicted)
- pka
- 12.09 · 12.09±0.70(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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 Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Suppliers
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Related reactions
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Compound notes
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