1-(4-Bromophenyl)-3-(4-isopropylanilino)-1-propanone
Basic information
- CAS
477334-14-8- Standard SMILES
CC(C)c1ccc(NCCC(=O)c2ccc(Br)cc2)cc1- InChIKey
NMGFSQGJRIPVSB-UHFFFAOYSA-N- Molecular formula
- C18H20BrNO
- Average molar mass
- 346.3 g/mol
- Monoisotopic mass
- 345.07283
Names & identifiers
- Preferred name
- 1-(4-Bromophenyl)-3-(4-isopropylanilino)-1-propanone
- IUPAC
- 1-(4-bromophenyl)-3-(4-propan-2-ylanilino)propan-1-one
- English name
- 1-(4-Bromophenyl)-3-(4-isopropylanilino)-1-propanone
- Molecular formula
- C18H20BrNO
- Molecular weight
- 346.26
Names & synonyms
477334-14-81-(4-bromophenyl)-3-(4-isopropylanilino)-1-propanoneRefChem:425017651-066-81-(4-Bromophenyl)-3-((4-isopropylphenyl)amino)propan-1-one1-(4-bromophenyl)-3-(4-propan-2-ylanilino)propan-1-one1-(4-bromophenyl)-3-{[4-(propan-2-yl)phenyl]amino}propan-1-oneSMR000200061MLS000581436CHEMBL1527635HMS2582K18MFCD02279065
Show more names
SALOR-INT L250503-1EA1-Propanone, 1-(4-bromophenyl)-3-[[4-(1-methylethyl)phenyl]amino]-
STK325008AKOS003937591JS-2544CS-0363621ST512282171-(4-bromophenyl)-3-(4-isopropylanilino)propan-1-one1-(4-bromophenyl)-3-[(4-isopropylphenyl)amino]-1-propanone
Database identifiers
- CAS
477334-14-8- PubChem CID
- 956953
- ChEMBL
CHEMBL1527635- EC Number
- 651-066-8
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Boiling point
- 478.4 · 478.4±40.0 °C(Predicted)
- Density
- 1.294 · 1.294±0.06 g/cm3(Predicted)
- pka
- 4.71 · 4.71±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H410-H335
- Precautionary statements
- 273 · P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H319-H315-H410-H335
- Precautionary statements
- P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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