Diethyl 2,4-diacetyl-3-(4-chlorophenyl)glutarate
Basic information
- CAS
84803-73-6- Standard SMILES
CCOC(=O)C(C(C)=O)C(c1ccc(Cl)cc1)C(C(C)=O)C(=O)OCC- InChIKey
DNQLYCOOQIWASI-UHFFFAOYSA-N- Molecular formula
- C19H23ClO6
- Average molar mass
- 382.8 g/mol
- Monoisotopic mass
- 382.1183161
Names & identifiers
- Preferred name
- Diethyl 2,4-diacetyl-3-(4-chlorophenyl)glutarate
- IUPAC
- diethyl 2,4-diacetyl-3-(4-chlorophenyl)pentanedioate
- English name
- diethyl 2,4-diacetyl-3-(4-chlorophenyl)glutarate
- Molecular formula
- C19H23ClO6
- Molecular weight
- 382.83532
Names & synonyms
Diethyl 2,4-diacetyl-3-(4-chlorophenyl)glutarateEINECS 284-201-01,5-DIETHYL 2,4-DIACETYL-3-(4-CHLOROPHENYL)PENTANEDIOATERefChem:587067284-201-084803-73-6diethyl 2,4-diacetyl-3-(4-chlorophenyl)pentanedioateJDK6KCG6QUDNQLYCOOQIWASI-UHFFFAOYSA-NDTXSID401005097AKOS025270283NS00062544
Show more names
P-Chlorophenylmethylene diacetate2,4-Diacetyl-3-(4-chlorophenyl)pentanedioic acid diethyl ester
Pentanedioic acid, 2,4-diacetyl-3-(4-chlorophenyl)-, 1,5-diethyl ester
Database identifiers
- CAS
84803-73-6- PubChem CID
- 3020141
- DTXSID
DTXSID401005097- UNII
- JDK6KCG6QU
- EC Number
- 284-201-0
- Nikkaji
- J309.467G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 488
Physicochemical properties
- Boiling point
- 492.1 ℃[at · 492.1℃[at 101 325 Pa]
- Density
- 1.202 · 1.202[at 20℃]
- REACH Registrations
- Active
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 ClassificationNot Classified
Hazard information
Regulatory InformationREACH registered substance: Diethyl 2,4-diacetyl-3-(4-chlorophenyl)glutarate (EC: 284-201-0)
Hazard Classes and CategoriesNot Classified
Safety data
- REACH Registrations
- Active
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Related reactions
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Compound notes
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