1-(4-Bromophenyl)-3-(4-fluoroanilino)-1-propanone
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Basic information
- CAS
477320-45-9- Standard SMILES
O=C(CCNc1ccc(F)cc1)c1ccc(Br)cc1- InChIKey
DOTJVVRVTMPACS-UHFFFAOYSA-N- Molecular formula
- C15H13BrFNO
- Average molar mass
- 322.17 g/mol
- Monoisotopic mass
- 321.01645
Names & identifiers
- Preferred name
- 1-(4-Bromophenyl)-3-(4-fluoroanilino)-1-propanone
- IUPAC
- 1-(4-bromophenyl)-3-(4-fluoroanilino)propan-1-one
- English name
- 1-(4-BROMOPHENYL)-3-(4-FLUOROANILINO)-1-PROPANONE
- Molecular formula
- C15H13BrFNO
- Molecular weight
- 322.17
Names & synonyms
477320-45-91-(4-bromophenyl)-3-(4-fluoroanilino)-1-propanoneRefChem:425011646-574-11-(4-Bromophenyl)-3-((4-fluorophenyl)amino)propan-1-one1-(4-bromophenyl)-3-(4-fluoroanilino)propan-1-one1-(4-bromophenyl)-3-[(4-fluorophenyl)amino]propan-1-oneAKOS005108295JS-2445ST51227258SALOR-INT L233137-1EA
Database identifiers
- CAS
477320-45-9- PubChem CID
- 3403604
- EC Number
- 646-574-1
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H302-H410-H318-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS09,GHS05
- Hazard statements
- H315-H302-H410-H318-H335
- Precautionary statements
- P280-P305+P351+P338-P310-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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