Basic information
- CAS
56348-72-2- Standard SMILES
Clc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1Cl- InChIKey
DHLVZXZRIZBPKG-UHFFFAOYSA-N- Molecular formula
- C12H6Cl4O
- Average molar mass
- 308 g/mol
- Monoisotopic mass
- 305.917276
Names & identifiers
- Preferred name
- 3,3',4,4'-Tetrachlorodiphenyl ether
- IUPAC
- 1,2-dichloro-4-(3,4-dichlorophenoxy)benzene
- English name
- 1,1'-Oxybis(3,4-dichlorobenzene)
- Molecular formula
- C12H6Cl4O
- Molecular weight
- 307.99
Names & synonyms
56348-72-23,3',4,4'-Tetrachlorodiphenyl etherUNII-A45BVL7ZXDA45BVL7ZXDBenzene, 1,1'-oxybis(3,4-dichloro-PCDE 77DTXSID20204886Benzene, 1,1'-oxybis[3,4-dichloro-RefChem:90626DTXCID501273771,2-dichloro-4-(3,4-dichlorophenoxy)benzene3,3',4,4'-TetraCDE
Show more names
-TetraCDEBis(3,4-dichlorophenyl) etherBenzene, 1,2-dichloro-4-(3,4-dichlorophenoxy)-3,3',4,4'-TETRACDE UNLABELED 50 UG/ML IN NONANE
1,1'-oxybis(3,4-dichlorobenzene)3,3,4,4-TetraCDEbis(3,4-dichlorophenyl)etherSCHEMBL21820786DHLVZXZRIZBPKG-UHFFFAOYSA-NDB-290968Q27273606
Database identifiers
- CAS
56348-72-2- PubChem CID
- 41853
- DTXSID
DTXSID20204886- UNII
- A45BVL7ZXD
- Nikkaji
- J151.749J
Properties
Computed structural properties
- XLogP
- 6.2
- 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
- 227
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP6.36
Physicochemical properties
- solubility
- DCM, DMSO, Ethyl Acetate
- form
- Solid
- color
- Off-White
- Henry's Law Constant
- 4.1 · 4.1×10-2 mol/(m3Pa) at 25℃, Kurz and Ballschmiter (1999)
- FDA UNII
- 45 BVL7ZXD · A45BVL7ZXD
Chemistry & industry
Applications
Uses3,3'',4,4''-TetraCDE is an intermediate in the synthesis of 2,3,7,8-Tetrachlorodibenzofuran (T291375), which is a toxic polychlorinated dibenzofuran detected in domestic meat and poultry.
Suppliers4 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
青岛腾龙微波科技有限公司0532-83818797 17669478191 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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