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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

IUPAC name:
1-chloro-3,5-dimethyladamantane

Inventory

CAS number:
707-36-8
Synonyms
Names:
Identifier:
other: SMILES notation
CC12CC3CC(C1)(CC(C3)(C2)Cl)C
Identifier:
other: InChl
InChI=1S/C12H19Cl/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3
1-chloro-3,5-dimethyladamantane

Molecular and structural information

Molecular formula:
C12H19Cl
Molecular weight:
198.73
SMILES notation:
CC13CC2(C)CC(Cl)(C1)CC(C2)C3
InChl:
InChI=1/C12H19Cl/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3
Structural formula:
Chemical structure

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