2-(2H3)Methyl(2H4)benzoic acid

Modify Date: 2024-01-04 09:04:43

2-(2H3)Methyl(2H4)benzoic acid Structure
2-(2H3)Methyl(2H4)benzoic acid structure
Common Name 2-(2H3)Methyl(2H4)benzoic acid
CAS Number 207742-73-2 Molecular Weight 143.191
Density 1.2±0.1 g/cm3 Boiling Point 260.9±9.0 °C at 760 mmHg
Molecular Formula C8HD7O2 Melting Point N/A
MSDS N/A Flash Point 118.8±13.4 °C

 Use of 2-(2H3)Methyl(2H4)benzoic acid


O-Toluic acid-d7 is the deuterium labeled o-Toluic acid[1]. o-Toluic acid (2-Methylbenzoic acid) is a benzoic acid?substituted by a?methyl?group at position 2. O-Toluic acid plays a role as a xenobiotic metabolite.

 Names

Name 2,3,4,5-tetradeuterio-6-(trideuteriomethyl)benzoic acid
Synonym More Synonyms

 2-(2H3)Methyl(2H4)benzoic acid Biological Activity

Description O-Toluic acid-d7 is the deuterium labeled o-Toluic acid[1]. o-Toluic acid (2-Methylbenzoic acid) is a benzoic acid?substituted by a?methyl?group at position 2. O-Toluic acid plays a role as a xenobiotic metabolite.
Related Catalog
In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.  

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 260.9±9.0 °C at 760 mmHg
Molecular Formula C8HD7O2
Molecular Weight 143.191
Flash Point 118.8±13.4 °C
Exact Mass 143.096375
PSA 37.30000
LogP 2.36
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.556

 Synonyms

3,4,5,6-tetradeutero-2-trideutero methylbenzoic acid
Benzoic-2,3,4,5-d acid, 6-(methyl-d)-
o-Toluic-ring-d4-methyl-d3 acid
2-(H)Methyl(H)benzoic acid