Basic information
- CAS
3447-87-8- Standard SMILES
O=C1C(Cl)C2(Cl)C3C(Cl)OC(Cl)C3C1(Cl)C2(Cl)Cl- InChIKey
KPHDFTRBKVDNNB-UHFFFAOYSA-N- Molecular formula
- C9H5Cl7O2
- Average molar mass
- 393.3 g/mol
- Monoisotopic mass
- 389.810923
Names & identifiers
- Preferred name
- 4,7-Methanoisobenzofuran-5(3H)-one, 1,3,4,6,7,8,8-heptachlorohexahydro-
- IUPAC
- 1,3,5,7,9,10,10-heptachloro-4-oxatricyclo[5.2.1.02,6]decan-8-one
- English name
- 1,3,4,6,7,8,8-Heptachloro-1,3a,4,6,7,7a-hexahydro-4,7-methanoisobenzofuran-5(3H)-one
- Molecular formula
- C9H5CL7O2
- Molecular weight
- 0
Names & synonyms
3447-87-84,7-Methanoisobenzofuran-5(3H)-one, 1,3,4,6,7,8,8-heptachlorohexahydro-RefChem:1069579Hooker hrs-1671HRS 1671ENT 27,2361,3,4,6,7,8,8-heptachlorohexahydro-4,7-methano-2-benzofuran-5(3h)-one1,3,4,6,7,8,8-Heptachlorohexahydro-4,7-methanoisobenzofuran-5(3H)-oneDTXSID50956008HRS-1671ENT-27236Reaxys ID: 1350914
Show more names
1,3,4,6,7,8,8-Heptachloro-1,3a,4,6,7,7a-hexahydro-4,7-methanoisobenzofuran-5(3H)-one
Database identifiers
- CAS
3447-87-8- PubChem CID
- 102415
- DTXSID
DTXSID50956008- Nikkaji
- J53.701B
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- Toxicity
- 50 oral · LD50 oral in rat: 7mg/kg
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
- Toxicity
- LD50 oral in rat: 7mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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