Basic information
- CAS
22966-23-0- Standard SMILES
O=C(/C=C/c1ccccc1)c1ccc(Br)cc1- InChIKey
QMHDTKUBDZUMNH-IZZDOVSWSA-N- Molecular formula
- C15H11BrO
- Average molar mass
- 287.15 g/mol
- Monoisotopic mass
- 285.99933
Names & identifiers
- Preferred name
- 4'-Bromochalcone
- IUPAC
- (E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one
- English name
- (2E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one
- Molecular formula
- C15H11BrO
- Molecular weight
- 287.15
Names & synonyms
4'-Bromochalcone2403-27-22-Propen-1-one, 1-(4-bromophenyl)-3-phenyl-CCRIS 2220AI3-16122NSC 28483RefChem:506013636-621-4(2E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one22966-23-0(E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-oneChalcone, 4'-bromo-
Show more names
4-Bromophenylstyryl ketoneStyryl(4-bromophenyl) ketoneβ-Phenyl-4'-bromoacrylophenone
trans-4'-Bromochalcone1-(4-bromophenyl)-3-phenylprop-2-en-1-one(E)-1-(4-Bromophenyl)-3-phenylpropenone4//'-BromochalconeCHEMBL4646971-(4-bromophenyl)-3-phenyl-2-propen-1-one(E)-1-(4-Bromophenyl)-3-phenyl-2-propen-1-one2-Propen-1-one, 1-(4-bromophenyl)-3-phenyl-, (E)-
Database identifiers
- CAS
22966-23-0、2403-27-2- PubChem CID
- 5355204
- DTXSID
DTXSID101030922- ChEMBL
CHEMBL464697- EC Number
- 636-621-4
- Nikkaji
- J124.898G、J150.788E
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
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 155 · 155-157 °C
- Boiling point
- 402.17 · 402.170±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.394 · 1.394±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 411 · H411-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
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 40 reports by companies from 3 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
- H411-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers4 total
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
2 records
Compound notes
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