3-Nitro-4-Methyl-Benzoic acid D6

Product Name 3-Nitro-4-Methyl-Benzoic acid D6
CAT No. CS-O-16232
CAS No. 96-98-0 (Unlabeled)
Category Stable Isotopes
Stock Enquire
Mol. Wt. Not Available
Mol. For. Not Available
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Smileys O=C(O)C1=C([2H])C([2H])=C(C([2H])([2H])[2H])C([N+]([O-])=O)=C1[2H]
Canonical Smiles CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
InchIKey BBEWSMNRCUXQRF-UHFFFAOYSA-N
Inchl InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)
IUPAC 4-methyl-3-nitrobenzoic acid
Controlled No
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3-Nitro-4-Methyl-Benzoic acid D6 is a deuterated form of 3-Nitro-4-Methyl-Benzoic acid, a chemical compound commonly used in organic synthesis. This deuterated form is specifically used in nuclear magnetic resonance (NMR) spectroscopy studies, as it allows for precise analysis of the chemical structure and dynamics of molecules. The chemical formula of 3-Nitro-4-Methyl-Benzoic acid D6 is C8H3D6NO4, and its molecular weight is 200.25 g/mol. It is a yellow crystalline powder with a melting point of 244-246 °C. In organic synthesis, 3-Nitro-4-Methyl-Benzoic acid D6 is used as a reagent for the preparation of various organic compounds, including pharmaceuticals and agrochemicals. It is also used as a precursor for the synthesis of other deuterated compounds, which are used in NMR studies. In terms of safety, 3-Nitro-4-Methyl-Benzoic acid D6 can cause skin and eye irritation, and may be harmful if ingested or inhaled. It should be handled with care and stored in a cool, dry place away from heat, flame, and oxidizing agents. Overall, 3-Nitro-4-Methyl-Benzoic acid D6 is an important tool for researchers in organic synthesis and NMR spectroscopy, providing valuable insights into the behavior of molecules and their interactions.

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