Basic information
- CAS
16635-18-0- Standard SMILES
O=C(/C=C/c1ccc(Br)cc1)c1ccccc1O- InChIKey
RBCJPKVEKWAARH-UHFFFAOYSA-N- Molecular formula
- C15H11BrO2
- Average molar mass
- 303.15 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-2'-hydroxychalcone
- IUPAC
- (E)-3-(4-bromophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
- English name
- 4Bromo-2-HydroxyChalcone
- Molecular formula
- C15H11BrO2
- Molecular weight
- 303.15
Names & synonyms
16635-18-04-BROMO-2'-HYDROXYCHALCONERefChem:519073653-199-73-(4-bromophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one(E)-3-(4-bromophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one65786-14-3(2E)-3-(4-bromophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one2-Propen-1-one, 3-(4-bromophenyl)-1-(2-hydroxyphenyl)-, (E)-2'-Hydroxy-4-bromochalconeCHEMBL89988SCHEMBL8093242
Show more names
4Bromo-2-HydroxyChalcone3-(4-Bromophenyl)-1-(2-hydroxyphenyl)-2-propen-1-one2-Propen-1-one, 3-(4-bromophenyl)-1-(2-hydroxyphenyl)-
Chalcone, 4-bromr-2'-hydroxy-RBCJPKVEKWAARH-JXMROGBWSA-NSBB017376STK525470AKOS005199027ST078351Propenone, 3-(4-bromophenyl)-1-(2-hydroxyphenyl)-(2E)-3-(4-Bromophenyl)-1-(2-hydroxyphenyl)-2-propen-1-one
Database identifiers
- CAS
16635-18-0、65786-14-3- PubChem CID
- 5372941
- ChEMBL
CHEMBL89988- EC Number
- 653-199-7
- Nikkaji
- J1.800.772J、J124.944D
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Melting point
- 138 · 138-139 °C
- Boiling point
- 446.35 · 446.350±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.483 · 1.483±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.677 · 7.677±0.30(predicted)
- Symbol(GHS)
- 9 · GHS09
- Hazard statements
- 411 · H411
Safety & regulation
GHS classification
GHS Classification
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
Safety data
- Symbol(GHS)
- GHS09
- Hazard statements
- H411
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
kemikalieimport[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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