1-(4-Fluorophenyl)-3-(4-iodoanilino)-1-propanone
Basic information
- CAS
477320-55-1- Standard SMILES
O=C(CCNc1ccc(I)cc1)c1ccc(F)cc1- InChIKey
IKXJHVPZOFEVRR-UHFFFAOYSA-N- Molecular formula
- C15H13FINO
- Average molar mass
- 369.17 g/mol
- Monoisotopic mass
- 369.00259
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)-3-(4-iodoanilino)-1-propanone
- IUPAC
- 1-(4-fluorophenyl)-3-(4-iodoanilino)propan-1-one
- English name
- 1-(4-Fluorophenyl)-3-(4-iodoanilino)-1-propanone
- Molecular formula
- C15H13FINO
- Molecular weight
- 369.17
Names & synonyms
477320-55-11-(4-fluorophenyl)-3-(4-iodoanilino)-1-propanoneRefChem:425538646-683-41-(4-Fluorophenyl)-3-((4-iodophenyl)amino)propan-1-one1-(4-fluorophenyl)-3-(4-iodoanilino)propan-1-one1-(4-fluorophenyl)-3-[(4-iodophenyl)amino]propan-1-oneAKOS005108376JS-2455SALOR-INT L233242-1EA1-Propanone, 1-(4-fluorophenyl)-3-[(4-iodophenyl)amino]-
Database identifiers
- CAS
477320-55-1- PubChem CID
- 4425397
- EC Number
- 646-683-4
Properties
Computed structural properties
- XLogP
- 4.5
- 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
- Boiling point
- 475.1 · 475.1±35.0 °C(Predicted)
- Density
- 1.622 · 1.622±0.06 g/cm3(Predicted)
- pka
- 3.34 · 3.34±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 410 · H410-H335-H318-H315-H302
- Precautionary statements
- 273 · P273-P391-P501-P280-P305+P351+P338-P310-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,GHS05,GHS09
- Hazard statements
- H410-H335-H318-H315-H302
- Precautionary statements
- P273-P391-P501-P280-P305+P351+P338-P310-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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