Basic information
- CAS
12408-14-9- Standard SMILES
OC1C=CC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl- InChIKey
YQWCIPIEEBVRNY-UHFFFAOYSA-N- Molecular formula
- C10H6Cl6O
- Average molar mass
- 354.9 g/mol
- Monoisotopic mass
- 351.854981
Overview
1-Hydroxychlordene is a secondary alcohol.
Names & identifiers
- Preferred name
- 4,5,6,7,8,8-Hexachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-inden-1-ol
- IUPAC
- 1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
- English name
- 1-HYDROXYCHLORDENE
- Molecular formula
- C10H6Cl6O
- Molecular weight
- 354.87
Names & synonyms
1-HydroxychlordeneChlordene hydroxide2597-11-74,7-Methano-1H-inden-1-ol, 4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-4,5,6,7,8,8-Hexachloro-3a,4,7,7a-tetrahydro-4,7-methanoindenl-olRefChem:9118464,5,6,7,8,8-Hexachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-inden-1-ol3-Hydroxychlordene1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]deca-4,8-dien-3-ol4,7-Methano-1H-indenol, 4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-12408-14-91-Hydroxychlordane
Show more names
Reaxys ID: 2220581Reaxys ID: 25087561-Hydroxy-chlorden1-exo-Hydroxychlorden1-Hydroxychlordene Solution
BRN 3975798AI3-27002SCHEMBL3229608CHEBI:34091DTXSID70862995YQWCIPIEEBVRNY-UHFFFAOYSA-NCAA597113a,4,7,7a-Tetrahydro-4,5,6,7,8,8-hexachloro-4,7-methanoinden-1-ol
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 471
Physicochemical properties
- Melting point
- 194 °C · 194°C
- Boiling point
- 471.12 °C · 471.12°C (rough estimate)
- Density
- 1.6621 · 1.6621 (rough estimate)
- refractive index
- 1.555 · 1.5550 (estimate)
- pka
- 11.679 · 11.679±0.70(predicted)
- Water Solubility
- 1.231 mg/L · 1.231mg/L(26.7 ºC)
- FDA UNII
- 8 S17V1MYAY · 8S17V1MYAY
- EPA Substance Registry System
- 1 · 1-Hydroxychlordene (2597-11-7)
Chemistry & industry
Applications
UsesChlordene Hydroxide is a metabolite of heptachlor (H265695), an organochlorine pesticide/insecticide used in the protection of crops from pests.
Suppliers1 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Additional notes
DefinitionChEBI: 1-Hydroxychlordene is a secondary alcohol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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