Basic information
- CAS
23851-46-9- Standard SMILES
O=C(O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1- InChIKey
LXFMMUDXRIMBHN-UHFFFAOYSA-N- Molecular formula
- C14H10Cl2O3
- Average molar mass
- 297.1 g/mol
- Monoisotopic mass
- 296.0006996
Overview
4,4'-dichlorobenzilic acid is a tertiary alcohol, a chlorocarboxylic acid and a member of monochlorobenzenes. It is functionally related to a benzilic acid.
Names & identifiers
- Preferred name
- 4-Chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetic acid
- IUPAC
- 2,2-bis(4-chlorophenyl)-2-hydroxyacetic acid
- English name
- 4,4'-dichlorobenzilic acid
- Molecular formula
- C14H10Cl2O3
- Molecular weight
- 297.13
Names & synonyms
4,4'-DICHLOROBENZILIC ACID23851-46-9bis(4-chlorophenyl)(hydroxy)acetic acidETW245A2J9CHEBI:39413DTXSID80178554Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-alpha-hydroxy-RefChem:912430DTXCID401010454-Chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetic acid2,2-bis(4-chlorophenyl)-2-hydroxyacetic acidBenzeneacetic acid,4-chloro-a-(4-chlorophenyl)-a-hydroxy-
Show more names
α,α-Bis(p-chlorophenyl)-α-hydroxyacetic acidBenzeneacetic acid, 4-chloro-α-(4-chlorophenyl)-α-hydroxy-
UNII-ETW245A2J9Benzilic acid, 4,4'-dichloro-SCHEMBL3172134Benzeneacetic acid, 4-chloro-.alpha.-(4-chlorophenyl)-.alpha.-hydroxy-2-HYDROXY-2,2-BIS(P-CHLOROPHENYL)ACETIC ACIDQ27119855
Database identifiers
- CAS
23851-46-9- PubChem CID
- 32110
- DTXSID
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- FDA UNII
- 245 A2J9 · ETW245A2J9
Chemistry & industry
Additional notes
DefinitionChEBI: 4,4'-dichlorobenzilic acid is a chlorocarboxylic acid, a member of monochlorobenzenes and a tertiary alcohol. It is functionally related to a benzilic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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