1,3,4-Metheno-1H-cyclobuta[cd]pentalene, 1,1a,2,2,3,4,5,5,5a,5b-decachlorooctahydro-
Basic information
- CAS
55570-84-8- Standard SMILES
ClC12C3C4(Cl)C1C1(Cl)C(Cl)(C2(Cl)Cl)C3(Cl)C1(Cl)C4(Cl)Cl- InChIKey
MGPOSXMUNYNZQQ-UHFFFAOYSA-N- Molecular formula
- C10H2Cl10
- Average molar mass
- 476.6 g/mol
- Monoisotopic mass
- 471.704177
Names & identifiers
- Preferred name
- 1,3,4-Metheno-1H-cyclobuta[cd]pentalene, 1,1a,2,2,3,4,5,5,5a,5b-decachlorooctahydro-
- IUPAC
- 1,2,4,5,5,6,7,9,10,10-decachloropentacyclo[5.3.0.02,6.03,9.04,8]decane
- English name
- 1,1a,2,2,3,4,5,5,5a,5b-Decachlorooctahydro-1,3,4-metheno-1H-cyclobuta[cd]pentalene
- Molecular formula
- C10H2Cl10
- Molecular weight
- 476.65
Names & synonyms
1,3,4-Metheno-1H-cyclobuta[cd]pentalene, 1,1a,2,2,3,4,5,5,5a,5b-decachlorooctahydro-55570-84-81,3,4-Metheno-1H-cyclobuta(cd)pentalene, 1,1a,2,2,3,4,5,5,5a,5b-decachlorooctahydro-RefChem:216813DTXSID00970911MGPOSXMUNYNZQQ-UHFFFAOYSA-N1,1a,2,2,3,4,5,5,5a,5b-Decachlorooctahydro-1H-1,3,4-(methanetriyl)cyclobuta[cd]pentalene1,3,4-Metheno-1H-cyclobuta[cd]pentalene, 1a,2,2,3,3a,4,5,5,5a,6-decachlorooctahydro-1,1a,2,2,3,4,5,5,5a,5b-Decachlorooctahydro-1,3,4-metheno-1H-cyclobuta[cd]pentalene1,3,4-Metheno-1H-cyclobuta[cd]pentalene, 1,1a,2,2,3,4,5,5,5a,5b-decachlorooctahydro- (9CI)
Database identifiers
- CAS
55570-84-8- PubChem CID
- 108347
- DTXSID
DTXSID00970911- Nikkaji
- J120.877B
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 544
Physicochemical properties
- Boiling point
- 427.6 · 427.6±40.0 °C(Predicted)
- Density
- 2.17 · 2.17±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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