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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Inventory

EC number:
203-168-5
EC name:
4-nitrophenylacetic acid
CAS number:
104-03-0
CAS number:
104-03-0
Synonyms
Names:
4-nitrophenylacetic_acid
Benzeneacetic acid, 4-nitro-
Identifier:
IUPAC name
2-(4-nitrophenyl)acetic acid
Identifier:
IUPAC name
2-(4-nitrophenyl)acetic acid
Identifier:
PubChem
(4-Nitrophenyl)acetic acid
Identifier:
PubChem
2-(4-NITROPHENYL)ACETIC ACID
Identifier:
PubChem
p-nitrophenylacetic acid
Identifier:
other: InChl
1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)
Identifier:
other: SMILES notation
C1=CC(=CC=C1CC(=O)O)[N+](=O)[O-]
Identifier:
other: InChl
InChI=1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)
Identifier:
other: SMILES notation
O=C(O)Cc1ccc([N+]([O-])=O)cc1
(4-nitrophenyl)acetic acid

Molecular and structural information

Molecular formula:
C8H7NO4
Molecular weight:
181.145
SMILES notation:
OC(=O)Cc1ccc(cc1)[N+](=O)[O-]
InChl:
InChI=1/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)
Structural formula:
Chemical structure

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