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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Inventory

EC number:
202-772-6
EC name:
3-nitrobenzaldehyde
CAS number:
99-61-6
CAS number:
99-61-6
Synonyms
Names:
Benzaldehyde, 3-nitro-
Identifier:
other: SMILES notation
C1=CC(=CC(=C1)[N+](=O)[O-])C=O
Identifier:
other: InChl
InChI=1S/C7H5NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H
Identifier:
other: SMILES notation
O=[N+]([O-])c1cc(ccc1)C=O
3-nitrobenzaldehyde

Molecular and structural information

Molecular formula:
C7H5NO3
Molecular weight:
151.119
SMILES notation:
[O-][N+](=O)c1cccc(C=O)c1
InChl:
InChI=1/C7H5NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H
Structural formula:
Chemical structure

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