2,3,5,6-Tetrachlorophenyl acetate
Basic information
- CAS
61925-90-4- Standard SMILES
CC(=O)Oc1c(Cl)c(Cl)cc(Cl)c1Cl- InChIKey
NHBOZDKIYJWIIT-UHFFFAOYSA-N- Molecular formula
- C8H4Cl4O2
- Average molar mass
- 273.9 g/mol
- Monoisotopic mass
- 271.89654
Names & identifiers
- Preferred name
- 2,3,5,6-Tetrachlorophenyl acetate
- IUPAC
- (2,3,5,6-tetrachlorophenyl) acetate
- English name
- 2,3,5,6-Tetrachlorophenol acetate
- Molecular formula
- C8H4Cl4O2
- Molecular weight
- 273.93
Names & synonyms
61925-90-42,3,5,6-Tetrachlorophenol acetate2,3,5,6-Tetrachlorophenyl acetatePhenol, 2,3,5,6-tetrachloro-, acetate(2,3,5,6-tetrachlorophenyl) acetateSCHEMBL31612522DTXSID70977477NHBOZDKIYJWIIT-UHFFFAOYSA-N2,3,5,6-Tetrachlorphenol-acetat2,3,5,6-Tetrachlorophenyl acetate #DB-364326Acetic acid, 2,3,5,6-tetrachlorophenyl ester
Show more names
Phenol, 2,3,5,6-tetrachloro-, 1-acetate2,3,5,6-Tetrachlorophenol acetate 10 μg/mL in Isooctane
Q634098832,3,5,6-Tetrachlorophenol acetate 10 microg/mL in Isooctane
Database identifiers
- CAS
61925-90-4- PubChem CID
- 522001
- DTXSID
DTXSID70977477- Nikkaji
- J46.799E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 340.5 · 340.5±42.0 °C(Predicted)
- Density
- 1.566 · 1.566±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…