CAS 1246816-42-1

2-(Methyl-d3)-6-nitrobenzenamine

Description:

2-(Methyl-d3)-6-nitrobenzenamine, with the CAS number 1246816-42-1, is a chemical compound characterized by its aromatic structure, which includes a nitro group and an amine functional group. The presence of the methyl-d3 group indicates that it contains three deuterium atoms, making it a deuterated derivative of 2-methyl-6-nitrobenzenamine. This modification can influence the compound's physical and chemical properties, such as its solubility, reactivity, and isotopic labeling, which is often utilized in various analytical techniques. The nitro group is known for its electron-withdrawing properties, which can affect the reactivity of the amine group, potentially making it a useful intermediate in organic synthesis. Additionally, the compound may exhibit specific spectral characteristics in NMR and mass spectrometry due to the presence of deuterium. Overall, 2-(Methyl-d3)-6-nitrobenzenamine is of interest in both synthetic chemistry and analytical applications, particularly in studies involving isotopic effects and reaction mechanisms.

Formula: C₇H₅D₃N₂O₂

InChI: InChI=1S/C7H8N2O2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,8H2,1H3/i1D3

InChI key: InChIKey=FCMRHMPITHLLLA-FIBGUPNXSA-N

SMILES: N(=O)(=O)C1=C(N)C(C([2H])([2H])[2H])=CC=C1

Synonyms:

• 2-(Methyl-d3)-6-nitrobenzenamine
• Benzenamine, 2-(methyl-d3)-6-nitro-

2-Methyl-6-nitroaniline-d3

Controlled Product

CAS: 1246816-42-1

Formula: C₇D₃H₅N₂O₂

Color and Shape: Neat

Molecular weight: 155.169

Ref: TR-M323562