Basic information
- CAS
22274-42-6- Standard SMILES
Clc1c(Cl)c(Cl)c(Oc2ccccc2)c(Cl)c1Cl- InChIKey
JDWOFUWJURZFFF-UHFFFAOYSA-N- Molecular formula
- C12H5Cl5O
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 339.878303
Names & identifiers
- Preferred name
- 2,3,4,5,6-Pentachlorodiphenyl ether
- IUPAC
- 1,2,3,4,5-pentachloro-6-phenoxybenzene
- English name
- Pentachlorodiphenyloxide
- Molecular formula
- C12H5Cl5O
- Molecular weight
- 342.43
Names & synonyms
2,3,4,5,6-Pentachlorodiphenyl ether64AS9UP9JW22274-42-6DTXSID6074049RefChem:1059181DTXCID704007742279-29-81,2,3,4,5-pentachloro-6-phenoxybenzeneBenzene, 1,1'-oxybis-, pentachloro deriv.Ether, pentachlorophenylPentachloro diphenyl etherPhenyl ether pentachloro
Show more names
Pentachloro diphenyl oxideUNII-64AS9UP9JWPENTACHLORODIPHENYLOXIDEUNII-57JY9B6G21PCDE 116SCHEMBL368975257JY9B6G21benzene, 1,2,3,4,5-pentachloro-6-phenoxy-
Database identifiers
- CAS
22274-42-6、42279-29-8- PubChem CID
- 39169
- DTXSID
DTXSID6074049- UNII
- 64AS9UP9JW
- Nikkaji
- J584.342A
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 255
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP6.37
Physicochemical properties
- Boiling point
- 458.72 °C · 458.72°C (rough estimate)
- Density
- 1.5669 · 1.5669 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- FDA UNII
- 57 JY9B6G21 · 57JY9B6G21
- EPA Substance Registry System
- 1 · Benzene, 1,1'-oxybis-, pentachloro deriv. (42279-29-8)
- Toxicity
- 100 mg/kg · LDLo orl-gpg: 100 mg/kg 14CYAT2,1707,63
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LDLo orl-gpg: 100 mg/kg 14CYAT2,1707,63
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…