Basic information
- CAS
83704-35-2- Standard SMILES
Clc1cc2c(oc3c(Cl)ccc(Cl)c32)c(Cl)c1Cl- InChIKey
VANGHZRYKXDPRR-UHFFFAOYSA-N- Molecular formula
- C12H3Cl5O
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 337.862653
Names & identifiers
- Preferred name
- 1,4,6,7,8-Pentachlorodibenzofuran
- IUPAC
- 1,4,6,7,8-pentachlorodibenzofuran
- English name
- 2,3,4,6,9-Pentachlorodibenzofuran
- Molecular formula
- C12H3Cl5O
- Molecular weight
- 340.42
Names & synonyms
1,4,6,7,8-PENTACHLORODIBENZOFURAN83704-35-2UNII-KE5XNK99QFKE5XNK99QFDibenzofuran, 1,4,6,7,8-pentachloro-PCDF 111DTXSID20232548RefChem:72981DTXCID501550392,3,4,6,9-pentachlorodibenzofuranDibenzofuran, 2,3,4,6,9-pentachloroVANGHZRYKXDPRR-UHFFFAOYSA-N
Show more names
1,4,6,7,8-PCDF
1,4,6,7,8-pentachlorodibenzo[b,d]furanDB-302162Q27282210
Database identifiers
- CAS
83704-35-2- PubChem CID
- 55115
- DTXSID
DTXSID20232548- UNII
- KE5XNK99QF
- Nikkaji
- J401.092B
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 328
Experimental & physicochemical properties
LogP6.53
Physicochemical properties
- Henry's Law Constant
- 1.1 · 1.1×100 mol/(m3Pa) at 25℃, Govers and Krop (1998)
- FDA UNII
- 5 XNK99QF · KE5XNK99QF
Chemistry & industry
Applications
Uses1,4,6,7,8-Pentachlorodibenzofuran is a standard used in environmental testing and research as well as in the study of polychlorodibenzo-p-dioxin/furan contributions to the baltic sea sediment.
Suppliers2 total
上海稳同科技有限公司02151600108 13062666369 · [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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