2,2',3,3',4,6'-Hexachlorodiphenyl ether
Basic information
- CAS
124076-66-0- Standard SMILES
Clc1ccc(Oc2c(Cl)ccc(Cl)c2Cl)c(Cl)c1Cl- InChIKey
YDVYLSIVXYLBBX-UHFFFAOYSA-N- Molecular formula
- C12H4Cl6O
- Average molar mass
- 376.9 g/mol
- Monoisotopic mass
- 373.839331
Names & identifiers
- Preferred name
- 2,2',3,3',4,6'-Hexachlorodiphenyl ether
- IUPAC
- 1,2,3-trichloro-4-(2,3,6-trichlorophenoxy)benzene
- English name
- 2,2',3,3',4,6'-hexachlorodiphenyl ether
- Molecular formula
- C12H4Cl6O
- Molecular weight
- 0
Names & synonyms
CDE32,2',3,3',4,6'-Hexachlorodiphenyl etherUL302LEG0Z124076-66-0DTXSID00154214RefChem:80558DTXCID50767051,2,3-Trichloro-4-(2,3,6-trichlorophenoxy)benzeneUNII-UL302LEG0ZPCDE 132SCHEMBL29767870Q27291130
Show more names
Benzene, 1,2,3-trichloro-4-(2,3,6-trichlorophenoxy)-
Database identifiers
- CAS
124076-66-0- PubChem CID
- 86371
- DTXSID
DTXSID00154214- UNII
- UL302LEG0Z
- Nikkaji
- J1.596.705F
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 304
Experimental & physicochemical properties
LogP6.65
Physicochemical properties
- Henry's Law Constant
- 6.2 · 6.2×10-2 mol/(m3Pa) at 25℃, Kurz and Ballschmiter (1999)
- FDA UNII
- 302 LEG0Z · UL302LEG0Z
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Related reactions
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Compound notes
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