3-(4-Bromophenyl)-1-phenylprop-2-en-1-one
Basic information
- CAS
1774-66-9- Standard SMILES
O=C(C=Cc1ccc(Br)cc1)c1ccccc1- InChIKey
JFARWEWTPMAQHW-UHFFFAOYSA-N- Molecular formula
- C15H11BrO
- Average molar mass
- 287.15 g/mol
- Monoisotopic mass
- 285.99933
Names & identifiers
- Preferred name
- 3-(4-Bromophenyl)-1-phenylprop-2-en-1-one
- IUPAC
- 3-(4-bromophenyl)-1-phenylprop-2-en-1-one
- English name
- 3-(4-Bromophenyl)-1-phenyl-2-propen-1-one
- Molecular formula
- C15H11BrO
- Molecular weight
- 287.15
Names & synonyms
3-(4-bromophenyl)-1-phenylprop-2-en-1-oneRefChem:492707889-018-54-BromobenzalacetophenoneMFCD002055532-Propen-1-one, 3-(4-bromophenyl)-1-phenyl-NSC284824-bromo-chalcone3-(4-bromo-phenyl)-1-phenyl-propenoneHKUST-1(Cu)SCHEMBL658482beta-(4-Bromophenyl)acrylophenone
Show more names
(2E)-3-(4-bromophenyl)-1-phenylprop-2-en-1-one4-BROMOCHALCONEβ-(4-Bromophenyl)acrylophenone3-(4-Bromophenyl)-1-phenyl-2-propen-1-one(E)-3-(4-bromophenyl)-1-phenyl-2-propen-1-one
JFARWEWTPMAQHW-UHFFFAOYSA-NAKOS030239617(E)-beta-(4-Bromophenyl)acrylophenone4'-Bromochalcone, CAS 22966-09-2SY4649623-(4-bromophenyl)-1-phenyl-prop-2-en-1-one
Database identifiers
- CAS
1774-66-9- PubChem CID
- 102159
- EC Number
- 889-018-5
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Melting point
- 123.5 °C · 123.5 °C
- Boiling point
- 398.3 · 398.3±34.0 °C(Predicted)
- Density
- 1.56 g/cm3 · 1.56 g/cm3(Temp: 23 °C)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 99 C4158DP · 099C4158DP
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H411
- Precautionary statements
- 261 · P261-P271-P280
- HS Code
- 2914790090 · 2914790090
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]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2914790090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335-H411
- Precautionary statements
- P261-P271-P280
Related reactions
2 records
Compound notes
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