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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
methyl 4-(acetylamino)-5-bromo-o-anisate

Inventory

EC number:
223-841-7
EC name:
Methyl 4-(acetylamino)-5-bromo-o-anisate
CAS number:
4093-34-9
CAS number:
4093-34-9
Synonyms
Names:
Benzoic acid, 4-(acetylamino)-5-bromo-2-methoxy-, methyl ester
Identifier:
IUPAC name
methyl 4-acetamido-5-bromo-2-methoxybenzoate
Identifier:
other: SMILES notation
CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)OC)Br
Identifier:
other: InChl
InChI=1S/C11H12BrNO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14)
methyl 5-bromo-4-acetamido-2-methoxybenzoate

Molecular and structural information

Molecular formula:
C11H12BrNO4
Molecular weight:
302.121
SMILES notation:
Brc1cc(c(cc1NC(C)=O)OC)C(=O)OC
InChl:
InChI=1/C11H12BrNO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14)
Structural formula:
Chemical structure

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