Basic information
- CAS
126443-16-1- Standard SMILES
O=C(/C=C/c1ccc(Cl)cc1)c1ccc(Br)cc1- InChIKey
HYCQSDMDGCPEPI-XCVCLJGOSA-N- Molecular formula
- C15H10BrClO
- Average molar mass
- 321.59 g/mol
- Monoisotopic mass
- 319.96036
Names & identifiers
- Preferred name
- 4'-Bromo-4-chlorochalcone
- IUPAC
- (E)-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one
Names & synonyms
6332-22-54'-Bromo-4-chlorochalconeACETOPHENONE, 4'-BROMO-2-(p-CHLOROBENZYLIDENE)-NSC 32214BRN 2271113AI3-16121RefChem:95930622-699-7HYCQSDMDGCPEPI-XCVCLJGOSA-N(2E)-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one126443-16-1(E)-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one
Show more names
2-Propen-1-one, 1-(4-bromophenyl)-3-(4-chlorophenyl)-4'-Bromo-2-(p-chlorobenzylidene)acetophenone1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one2-Propen-1-one, 1-(4-bromophenyl)-3-(4-chlorophenyl)-, (2E)-MFCD00018788NSC-322141-(4-bromophenyl)-3-(4-chlorophenyl)-2-propen-1-oneNSC32214
Database identifiers
- CAS
126443-16-1、6332-22-5- PubChem CID
- 5293152
- ChEMBL
CHEMBL1289003- UNII
- HS2VWJ8YE5
- EC Number
- 622-699-7
- Nikkaji
- J236.523E、J55.017E
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 300
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, P271, P273, P280, P302+P352, P304+P340, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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