Cyclooctane-d16
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Basic information
- CAS
92204-03-0- Standard SMILES
[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]- InChIKey
WJTCGQSWYFHTAC-UHFFFAOYSA-N- Molecular formula
- C8H16
- Average molar mass
- 128.31 g/mol
- Monoisotopic mass
- 128.22562845
Names & identifiers
- Preferred name
- Cyclooctane-d16
- IUPAC
- 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecadeuteriocyclooctane
- English name
- CYCLOOCTANE-D16
- Molecular formula
- C8H16
- Molecular weight
- 112.22
Names & synonyms
Cyclooctane-d1692204-03-01,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecadeuteriocyclooctane(?H??)cyclooctaneCyclooctane-d16, 98 atom % DDB-318990D98048
Database identifiers
- CAS
92204-03-0- PubChem CID
- 71309594
- EC Number
- 106-387-3
- Nikkaji
- J1.516.462J
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 24
Physicochemical properties
- Melting point
- 10 · 10-12 °C(lit.)
- Boiling point
- 151 °C · 151 °C(lit.)
- Density
- 0.951 g/mL · 0.951 g/mL at 25 °C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- color
- Colourless
- UNSPSC Code
- 12352002 · 12352002
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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