Basic information
- CAS
52322-80-2- Standard SMILES
Clc1cc(Cl)c(Oc2ccccc2)cc1Cl- InChIKey
UWKZWXCTDPYXHU-UHFFFAOYSA-N- Molecular formula
- C12H7Cl3O
- Average molar mass
- 273.5 g/mol
- Monoisotopic mass
- 271.956248
Names & identifiers
- Preferred name
- 2,4,5-Trichlorodiphenyl ether
- IUPAC
- 1,2,4-trichloro-5-phenoxybenzene
- English name
- 1,2,4-Trichloro-5-phenoxybenzene
- Molecular formula
- C12H7Cl3O
- Molecular weight
- 273.54
Names & synonyms
2,4,5-TRICHLORODIPHENYL ETHER52322-80-2UNII-M2U9R7JI6WM2U9R7JI6WBenzene, 1,2,4-trichloro-5-phenoxy-PCDE 29DTXSID5074052RefChem:82009DTXCID30411681,2,4-trichloro-5-phenoxybenzene2,4,5-trichloro-diphenyl etherUWKZWXCTDPYXHU-UHFFFAOYSA-N
Show more names
2,4,5-Trichlorophenylphenyl ether
DB-300930Q27283402
Database identifiers
- CAS
52322-80-2- PubChem CID
- 40319
- DTXSID
DTXSID5074052- UNII
- M2U9R7JI6W
- Nikkaji
- J151.915H
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 218
Experimental & physicochemical properties
LogP5.44
Physicochemical properties
- Boiling point
- 325.3 · 325.3±42.0 °C(Predicted)
- Density
- 1.396 · 1.396±0.06 g/cm3(Predicted)
- Henry's Law Constant
- 8.9 · 8.9×10-3 mol/(m3Pa) at 25℃, Kurz and Ballschmiter (1999)
- FDA UNII
- 2 U9R7JI6W · M2U9R7JI6W
- EPA Substance Registry System
- 1 · Benzene, 1,2,4-trichloro-5-phenoxy- (52322-80-2)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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