Basic information
- Standard SMILES
O=C(C=Cc1c(Cl)cccc1Cl)c1ccccc1O- InChIKey
DBQYHWPRRQKNKQ-UHFFFAOYSA-N- Molecular formula
- C15H10Cl2O2
- Average molar mass
- 293.1 g/mol
- Monoisotopic mass
- 292.00578492
Names & identifiers
- Preferred name
- 2,6-Dichloro-2'-hydroxychalcone
- IUPAC
- 3-(2,6-dichlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
- English name
- 2,6-Dichloro-2'-hydroxychalcone
- Molecular formula
- C15H10Cl2O2
- Molecular weight
- 293.14
Names & synonyms
2,6-DICHLORO-2'-HYDROXYCHALCONE73110-44-8DTXSID3040405788701-85-3RefChem:83154(E)-3-(2,6-dichlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-oneDTXCID20354911653-223-63-(2,6-dichlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-oneSCHEMBL51393372-Propen-1-one, 3-(2,6-dichlorophenyl)-1-(2-hydroxyphenyl)-
Database identifiers
- CAS
73110-44-8、88701-85-3- PubChem CID
- 4538437
- DTXSID
DTXSID30404057- EC Number
- 653-223-6
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Boiling point
- 455.8 · 455.8±45.0 °C(Predicted)
- Density
- 1.381 · 1.381±0.06 g/cm3(Predicted)
- pka
- 7.57 · 7.57±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
Suppliers1 total
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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