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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Inventory

EC number:
201-891-0
EC name:
3-methyl-1-phenyl-5-pyrazolone
CAS number:
89-25-8
CAS number:
89-25-8
Synonyms
Names:
2,4-dihydro-5-methyl-2-phenyl-3h-pyrazo-3-one
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-
Identifier:
IUPAC name
5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
Identifier:
IUPAC name
5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Identifier:
other: SMILES notation
CC1=NN(C(=O)C1)c2ccccc2
Identifier:
other: InChl
InChI=1/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
Identifier:
other: InChl
InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
Identifier:
other: SMILES notation
O=C2CC(C)=NN2c1ccccc1
5-Methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Molecular and structural information

Molecular formula:
C10H10N2O
Molecular weight:
ca. 174.079
SMILES notation:
O=C1N(/N=C(\C1)C)c2ccccc2
InChl:
1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
Structural formula:
Chemical structure

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