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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

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Diss Factsheets

Reference substances

Reference substances

IUPAC name:
5-(4-chlorobutyl)-1-cyclohexyl-1H-1,2,3,4-tetrazole

Inventory

CAS number:
73963-42-5
Synonyms
Names:
5-(4-Chlorobutyl)-1-Cyclohexanyl tetrazole 1H-Tetrazole, 5-(4-Chlorobutyl)-1-Cyclohexyl- 1-Cyclohexyl-5-(4-Chlorobutyl)tetrazole 1-Cyclohexyl-5-(4-Chlorobutyl)-1,2,3,4-tetrazole KBC-tetrazol 12380060 616-036-0
Identifier:
IUPAC name
5-(4-chlorobutyl)-1-cyclohexyl-1H-tetrazole
Identifier:
other: SMILES notation
C1CCC(CC1)N2C(=NN=N2)CCCCCl
Identifier:
other: InChl
InChI=1S/C11H19ClN4/c12-9-5-4-8-11-13-14-15-16(11)10-6-2-1-3-7-10/h10H,1-9H2
5-(4-Chlorobutyl)-1-Cyclohexyl-1H-Tetrazole

Molecular and structural information

Molecular formula:
C11H19ClN4
Molecular weight:
242.748
SMILES notation:
ClCCCCc2nnnn2C1CCCCC1
InChl:
InChI=1/C11H19ClN4/c12-9-5-4-8-11-13-14-15-16(11)10-6-2-1-3-7-10/h10H,1-9H2
Structural formula:
Chemical structure

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