Basic information
- CAS
10565-20-5- Standard SMILES
O=C(Oc1ccccc1)C(Cl)Cl- InChIKey
FALZSEYHTLDSIT-UHFFFAOYSA-N- Molecular formula
- C8H6Cl2O2
- Average molar mass
- 205.03 g/mol
- Monoisotopic mass
- 203.9744848
Names & identifiers
- Preferred name
- Phenyl dichloroacetate
- IUPAC
- phenyl 2,2-dichloroacetate
- English name
- Acetic acid, 2,2-dichloro-, phenyl ester
- Molecular formula
- C8H6Cl2O2
- Molecular weight
- 205.04
Names & synonyms
Phenyl dichloroacetate10565-20-5Dichloroacetic acid, phenyl esterDTXSID70287801RefChem:369676DTXCID60238948FALZSEYHTLDSIT-UHFFFAOYSA-Nphenyl 2,2-dichloroacetatePhenyl dichloroacetate #SCHEMBL6305898CHEMBL4284955NSC52564
Show more names
Acetic acid, 2,2-dichloro-, phenyl ester
NSC-52564DB-221751
Database identifiers
- CAS
10565-20-5- PubChem CID
- 243221
- DTXSID
DTXSID70287801- ChEMBL
CHEMBL4284955- Nikkaji
- J274.496A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 48 °C · 48 °C
- Boiling point
- 247.5 °C · 247.5 °C
- Density
- 1.2991 g/cm3 · 1.2991 g/cm3(Temp: 50 °C)
Chemistry & industry
Suppliers4 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
湖北创联康成药物化学有限公司027-65388397 18164111589 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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