1-[1,1'-Biphenyl]-4-yl-3-(3,4-dichloroanilino)-1-propanone
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Basic information
- CAS
882748-75-6- Standard SMILES
O=C(CCNc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)cc1- InChIKey
QRLKMVDSYMCXIG-UHFFFAOYSA-N- Molecular formula
- C21H17Cl2NO
- Average molar mass
- 370.3 g/mol
- Monoisotopic mass
- 369.0687196
Names & identifiers
- Preferred name
- 1-[1,1'-Biphenyl]-4-yl-3-(3,4-dichloroanilino)-1-propanone
- IUPAC
- 3-(3,4-dichloroanilino)-1-(4-phenylphenyl)propan-1-one
- English name
- 1-[1,1'-BIPHENYL]-4-YL-3-(3,4-DICHLOROANILINO)-1-PROPANONE
- Molecular formula
- C21H17Cl2NO
- Molecular weight
- 370.27
Names & synonyms
882748-75-61-[1,1'-biphenyl]-4-yl-3-(3,4-dichloroanilino)-1-propanone1-{[1,1'-biphenyl]-4-yl}-3-[(3,4-dichlorophenyl)amino]propan-1-one3-(3,4-dichloroanilino)-1-(4-phenylphenyl)propan-1-one1-([1,1'-Biphenyl]-4-yl)-3-((3,4-dichlorophenyl)amino)propan-1-one1-(1,1'-BIPHENYL)-4-YL-3-(3,4-DICHLOROANILINO)-1-PROPANONEAKOS005108508JS-2352SALOR-INT L200859-1EA1-Propanone, 1-[1,1'-biphenyl]-4-yl-3-[(3,4-dichlorophenyl)amino]-
Database identifiers
- CAS
882748-75-6- PubChem CID
- 4097730
- EC Number
- 125-867-3
Properties
Computed structural propertiesFilling in
- XLogP
- 6.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- Boiling point
- 570.5 · 570.5±45.0 °C(Predicted)
- Density
- 1.274 · 1.274±0.06 g/cm3(Predicted)
- pka
- 2.86 · 2.86±0.50(Predicted)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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