3,3-Bis(p-chlorophenyl)propionic acid
Basic information
- CAS
2540-35-4- Standard SMILES
O=C(O)CC(c1ccc(Cl)cc1)c1ccc(Cl)cc1- InChIKey
USABTSSPDBXQKB-UHFFFAOYSA-N- Molecular formula
- C15H12Cl2O2
- Average molar mass
- 295.2 g/mol
- Monoisotopic mass
- 294.021435
Names & identifiers
- Preferred name
- 3,3-Bis(p-chlorophenyl)propionic acid
- IUPAC
- 3,3-bis(4-chlorophenyl)propanoic acid
- English name
- 3,3-bis(p-chlorophenyl)propionic acid
- Molecular formula
- C15H12Cl2O2
- Molecular weight
- 295.16058
Names & synonyms
3,3-Bis(p-chlorophenyl)propionic acid3,3-bis(4-chlorophenyl)propanoic acid2540-35-43,3-Bis(4-chlorophenyl)propionic AcidEINECS 219-816-5JY3EG2CV9W4-Chloro-beta-(4-chlorophenyl)benzenepropanoic acidSCHEMBL3520190DTXSID401800573.3-Bis(4-chlorophenyl)propionic Acid2-(4,4'-dichlorobenzhydryl) acetic acid3,3-Bis-(4-chloro-phenyl)-propionic acid
Show more names
4-Chloro-β-(4-chlorophenyl)benzenepropanoic acidBenzenepropanoic acid, 4-chloro-β-(4-chlorophenyl)-
DB-394086NS00027886Benzenepropanoic acid, 4-chloro-beta-(4-chlorophenyl)-
Database identifiers
- CAS
2540-35-4- PubChem CID
- 75681
- DTXSID
DTXSID40180057- UNII
- JY3EG2CV9W
- EC Number
- 219-816-5
- Nikkaji
- J192.032D
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 271
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 188 · 188-189 °C
- Boiling point
- 422.7 · 422.7±35.0 °C(Predicted)
- Density
- 1.334 · 1.334±0.06 g/cm3(Predicted)
- pka
- 4.35 · 4.35±0.10(Predicted)
Related reactions
10 records
Compound notes
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