2,2,3,3,5,5,6-Heptachloro-1,4-dioxane
Basic information
- CAS
6629-96-5- Standard SMILES
ClC1OC(Cl)(Cl)C(Cl)(Cl)OC1(Cl)Cl- InChIKey
QESFVSBDBUGOEW-UHFFFAOYSA-N- Molecular formula
- C4HCl7O2
- Average molar mass
- 329.2 g/mol
- Monoisotopic mass
- 325.779623
Names & identifiers
- Preferred name
- 2,2,3,3,5,5,6-Heptachloro-1,4-dioxane
- IUPAC
- 2,2,3,3,5,5,6-heptachloro-1,4-dioxane
- English name
- 2,2,3,3,5,5,6-Heptachloro-1,4-dioxane
- Molecular formula
- C4HCl7O2
- Molecular weight
- 329.22
Names & synonyms
2,2,3,3,5,5,6-Heptachloro-1,4-dioxane6629-96-5NSC60526heptachlorodioxinNSC 60526C4HCl7O2SCHEMBL9229528MFCD00085459NSC-60526AKOS024288491ST104229CS-0454662
Show more names
1,4-Dioxane, 2,2,3,3,5,5,6-heptachloro-
ST45021934
Database identifiers
- CAS
6629-96-5- PubChem CID
- 246907
- Nikkaji
- J405.293E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 55 °C · 55°C
- Boiling point
- 445.2 °C · 445.2°C (rough estimate)
- Density
- 2.2155 · 2.2155 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 226 · H226-H302+H312+H332-H351
- Precautionary statements
- 210 · P210-P280-P301+P312
- HS Code
- 2932990090 · 2932990090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07,GHS08
- Hazard statements
- H226-H302+H312+H332-H351
- Precautionary statements
- P210-P280-P301+P312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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