Basic information
- CAS
130892-66-9- Standard SMILES
Clc1ccc(Oc2c(Cl)cccc2Cl)cc1Cl- InChIKey
IZZULMOBRTYHMH-UHFFFAOYSA-N- Molecular formula
- C12H6Cl4O
- Average molar mass
- 308 g/mol
- Monoisotopic mass
- 305.917276
Names & identifiers
- Preferred name
- 2,3',4',6-Tetrachlorodiphenyl ether
- IUPAC
- 1,2-dichloro-4-(2,6-dichlorophenoxy)benzene
- English name
- 2,6-Dichlorophenyl 3,4-dichlorophenyl ether
- Molecular formula
- C12H6Cl4O
- Molecular weight
- 307.99
Names & synonyms
Benzene, 1,3-dichloro-2-(3,4-dichlorophenoxy)-2,3',4',6-Tetrachlorodiphenyl etherUNII-5265K9FUYI1,3-Dichloro-2-(3,4-dichlorophenoxy)benzene2',3,4,6'-Tetrachlorodiphenyl ether5265K9FUYIPCDE 71DTXSID3074492RefChem:197282DTXCID7033999130892-66-91,2-dichloro-4-(2,6-dichlorophenoxy)benzene
Show more names
2,6-Dichlorophenyl 3,4-dichlorophenyl ether
IZZULMOBRTYHMH-UHFFFAOYSA-NNS00134758Q27260968
Database identifiers
- CAS
130892-66-9- PubChem CID
- 86393
- DTXSID
DTXSID3074492- UNII
- 5265K9FUYI
- Nikkaji
- J151.781C
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 241
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP5.7
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Henry's Law Constant
- 4.6 · 4.6×10-2 mol/(m3Pa) at 25℃, Kurz and Ballschmiter (1999)
- FDA UNII
- 5265 K9FUYI · 5265K9FUYI
- EPA Substance Registry System
- 1 · Benzene, 1,3-dichloro-2-(3,4-dichlorophenoxy)- (130892-66-9)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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