3,4-Dimethylphenol-d6

Product Name 3,4-Dimethylphenol-d6
CAT No. CS-T-90703
CAS No. 1346599-02-7
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 CC1=C([2H])C(O[2H])=C([2H])C([2H])=C1C([2H])[2H]
Canonical Smiles CC1=C(C=C(C=C1)O)C
InchIKey YCOXTKKNXUZSKD-WFGJKAKNSA-N
Inchl InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3/i1D3,2D3
IUPAC 3,4-bis(trideuteriomethyl)phenol
Controlled No
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3,4-Dimethylphenol-d6, also known as 3,4-Xylenol-d6, is a deuterated form of 3,4-Dimethylphenol. It is a colorless liquid with a molecular weight of 118.2 g/mol. This chemical compound is used primarily as an intermediate in the production of pharmaceuticals, dyes, and agrochemicals. One of the key uses of 3,4-Dimethylphenol-d6 is in the synthesis of paracetamol, an analgesic and antipyretic drug. It is also used as a starting material for the production of other chemicals, such as resorcinol and phloroglucinol. In the dye industry, it is employed as a raw material for the production of azo dyes. In the agricultural sector, it is used as a pesticide intermediate. The chemical formula of 3,4-Dimethylphenol-d6 is C8D6H8O, and its molecular structure consists of a phenol ring with two methyl groups and a deuterium atom at the 3 and 4 positions. It has a boiling point of 204-205°C, a flash point of 87°C, and a density of 1.03 g/mL at 20°C. It is soluble in organic solvents such as ethanol, ether, and benzene. In conclusion, 3,4-Dimethylphenol-d6 is an important chemical intermediate used in the production of various pharmaceuticals, dyes, and agrochemicals. Its deuterated form is used in the field of nuclear magnetic resonance spectroscopy, which is a powerful analytical tool for elucidating the structure of complex organic molecules.

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