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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-one

Inventory

EC number:
406-300-1
EC name:
-
CAS number:
-
Description:
4-(3,4-DICHLOROPHENYL)-TETRALONE; SERTRALONE; TETRALONE
CAS number:
79560-19-3
Synonyms
Names:
4-(3,4-DICHLOROPHENYL)-TETRALONE
Sertralone
Tetralone
Identifier:
IUPAC name
4-(3,4-dichlorophenyl)tetralin-1-one
Identifier:
other: SMILES notation
C1CC(=O)C2=CC=CC=C2C1C3=CC(=C(C=C3)Cl)Cl
Identifier:
other: InChl
InChI=1S/C16H12Cl2O/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11H,6,8H2
4-(3,4-DICHLOROPHENYL)-3,4-DIHYDRO-1-(2H)-NAPHTHALENONE

Molecular and structural information

Molecular formula:
C16H12Cl2O
Molecular weight:
291.172
SMILES notation:
O=C1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc12
InChl:
1S/C16H10Cl2O/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-7,9H,8H2
Structural formula:
Chemical structure

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