Basic information
- CAS
706-93-4- Standard SMILES
ClC(Cl)(Cl)C(Cl)(Cl)c1ccccc1- InChIKey
AXVLZOYLQOEKAO-UHFFFAOYSA-N- Molecular formula
- C8H5Cl5
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 275.883389
Names & identifiers
- Preferred name
- 1-(Pentachloroethyl)benzene
- IUPAC
- 1,1,2,2,2-pentachloroethylbenzene
Names & synonyms
1-(Pentachloroethyl)benzene706-93-4NSC 343639NSC343639(1,1,2,2,2-Pentachloroethyl)benzene(Pentachloroethyl)benzenedichlorophenyltrichloroethaneBenzene, (pentachloroethyl)-SCHEMBL9529779SCHEMBL9672534SCHEMBL18241862SCHEMBL18242458
Show more names
DTXSID30319298AXVLZOYLQOEKAO-UHFFFAOYSA-NNSC-343639(1,1,2,2,2-Pentachloroethyl)benzene #DS-006668BENZENE,(1,1,2,2,2-PENTACHLOROETHYL)-
Database identifiers
- CAS
706-93-4- PubChem CID
- 335200
- DTXSID
DTXSID30319298- Nikkaji
- J95.646E
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 166
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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