Basic information
- CAS
147220-80-2- Standard SMILES
O=C(Cc1ccc(Br)cc1)c1c(O)cc(O)cc1O- InChIKey
ZHFHYNNYPFXGEC-UHFFFAOYSA-N- Molecular formula
- C14H11BrO4
- Average molar mass
- 323.14 g/mol
- Monoisotopic mass
- 321.98407
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
- IUPAC
- 2-(4-bromophenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
- English name
- 2(4'-BROMOPHENYL)-2',4',6'-TRIHYDROXYACETOPHENONE
- Molecular formula
- C14H11BrO4
- Molecular weight
- 323.14
Names & synonyms
147220-80-22-(4-bromophenyl)-1-(2,4,6-trihydroxyphenyl)ethanoneDTXSID50351014RefChem:251979DTXCID50302081650-976-2Ethanone,2-(4-bromophenyl)-1-(2,4,6-trihydroxyphenyl)-MFCD00854041Ethanone, 2-(4-bromophenyl)-1-(2,4,6-trihydroxyphenyl)-2-(4-bromophenyl)-1-(2,4,6-trihydroxyphenyl)ethan-1-oneC14H11BrO4Oprea1_176431
Show more names
SALOR-INT L251232-1EA2(4'-BROMOPHENYL)-2',4',6'-TRIHYDROXYACETOPHENONEJR-6439, 2-(4-Bromophenyl)-1-(2,4,6-trihydroxyphenyl)ethanone, 97%
CHEMBL2043042(4/'-BROMOPHENYL)-2/',4/',6/'-TRIHYDROXYACETOPHENONEAKOS002384969DB-116289ST50309251F6170-0125
Database identifiers
- CAS
147220-80-2- PubChem CID
- 689031
- DTXSID
DTXSID50351014- ChEMBL
CHEMBL204304- EC Number
- 650-976-2
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 222 · 222-224 °C
- Boiling point
- 492.5 · 492.5±14.0 °C(Predicted)
- Density
- 1.673 · 1.673±0.06 g/cm3(Predicted)
- pka
- 7.04 · 7.04±0.40(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Preparation methods
PreparationObtained by reaction of 4-bro-mophenylacetonitrile with phloroglucinol (Hoesch reaction).
Upstream & downstream products
Upstream raw materials
Suppliers9 total
Leancare Ltd.[email protected]
Dr. Jagath Reddy's Heterocyclics[email protected]
Carbone Scientific CO., LTD[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
INDOFINE-SB[email protected]
SIGMAALDRICH—
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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