Introduction：Basic information about CAS 207742-73-2|2-(2H3)Methyl(2H4)benzoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-(2H3)Methyl(2H4)benzoic acid |
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| CAS Number | 207742-73-2 | Molecular Weight | 143.191 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 260.9±9.0 °C at 760 mmHg |
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| Molecular Formula | C8HD7O2 | Melting Point | / |
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| MSDS | / | Flash Point | 118.8±13.4 °C |
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Names
| Name | 2,3,4,5-tetradeuterio-6-(trideuteriomethyl)benzoic acid |
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| Synonym | More Synonyms |
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2-(2H3)Methyl(2H4)benzoic acid BiologicalActivity
| 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. |
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| Related Catalog | Research Areas >>Others |
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| 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]. |
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| References | [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 260.9±9.0 °C at 760 mmHg |
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| Molecular Formula | C8HD7O2 |
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| Molecular Weight | 143.191 |
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| Flash Point | 118.8±13.4 °C |
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| Exact Mass | 143.096375 |
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| PSA | 37.30000 |
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| LogP | 2.36 |
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| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
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| Index of Refraction | 1.556 |
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| InChIKey | ZWLPBLYKEWSWPD-AAYPNNLASA-N |
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| SMILES | Cc1ccccc1C(=O)O |
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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 |
