Basic information
- CAS
308297-48-5- Standard SMILES
CCOC(=O)c1c(C)oc2cc(Br)c(OCC(=O)c3ccc(F)cc3)cc12- InChIKey
FRERQUCBIQXBDT-UHFFFAOYSA-N- Molecular formula
- C20H16BrFO5
- Average molar mass
- 435.2 g/mol
- Monoisotopic mass
- 434.01651
Names & identifiers
- Preferred name
- Ethyl 6-bromo-5-[2-(4-fluorophenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate
- IUPAC
- ethyl 6-bromo-5-[2-(4-fluorophenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate
- English name
- ethyl 6-bromo-5-(2-(4-fluorophenyl)-2-oxoethoxy)-2-methylbenzofuran-3-carboxylate
- Molecular formula
- C20H16BrFO5
- Molecular weight
- 435.24
Names & synonyms
308297-48-5ethyl 6-bromo-5-[2-(4-fluorophenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylateethyl 6-bromo-5-(2-(4-fluorophenyl)-2-oxoethoxy)-2-methylbenzofuran-3-carboxylateOprea1_195335STK888092AKOS002163648ST50038678F1190-0034ethyl 6-bromo-5-[2-(4-fluorophenyl)-2-oxoethoxy]-2-methylbenzo[b]furan-3-carbo xylateET 6-BR-5-(2-(4-FLUOROPHENYL)-2-OXOETHOXY)-2-METHYL-1-BENZOFURAN-3-CARBOXYLATE3-Benzofurancarboxylic acid, 6-bromo-5-[2-(4-fluorophenyl)-2-oxoethoxy]-2-methyl-, ethyl ester
Database identifiers
- CAS
308297-48-5- PubChem CID
- 979596
- EC Number
- 122-488-5
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 536
Physicochemical properties
- Boiling point
- 543 · 543.0±50.0 °C(Predicted)
- Density
- 1.463 · 1.463±0.06 g/cm3(Predicted)
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, 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 CategoriesEye Irrit. 2 (100%)
Chemistry & industry
Suppliers4 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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