Ethyl 4-(4-chlorophenoxy)-3-oxobutanoate
Basic information
- CAS
97900-77-1- Standard SMILES
CCOC(=O)CC(=O)COc1ccc(Cl)cc1- InChIKey
KLLRHDAZDZLFDL-UHFFFAOYSA-N- Molecular formula
- C12H13ClO4
- Average molar mass
- 256.68 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-(4-chlorophenoxy)-3-oxobutanoate
- IUPAC
- ethyl 4-(4-chlorophenoxy)-3-oxobutanoate
- English name
- 4-(4-Chlorophenoxy)-3-oxo-butanoic acid ethyl ester
- Molecular formula
- C12H13ClO4
- Molecular weight
- 256.68
Names & synonyms
ethyl 4-(4-chlorophenoxy)-3-oxobutanoate97900-77-14-(4-Chlorophenoxy)-3-oxo-butanoic acid Ethyl esterMFCD11849524SCHEMBL2412870KLLRHDAZDZLFDL-UHFFFAOYSA-NAKOS008950908ethyl 4-(4-chlorophenoxy)-3-oxo-butanoateF803094-(4-Chlorophenoxy)-3-oxo-butanoicacidEthylesterF522348Butanoic acid, 4-(4-chlorophenoxy)-3-oxo-, ethyl ester
Database identifiers
- CAS
97900-77-1
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Boiling point
- 347.2 · 347.2±22.0 °C(Predicted)
- Density
- 1.23 · 1.230±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 9.67 · 9.67±0.46(Predicted)
- Appearance
- white solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H320
- Precautionary statements
- 312 · P312-P264-P305+P351+P338-P337+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303-H320
- Precautionary statements
- P312-P264-P305+P351+P338-P337+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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