Introduction：Basic information about CAS 17537-31-4|1-Phenyl(2H3)ethanone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1-Phenyl(2H3)ethanone |
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| CAS Number | 17537-31-4 | Molecular Weight | 123.167 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 202.0±0.0 °C at 760 mmHg |
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| Molecular Formula | C8H5D3O | Melting Point | 19-20ºC(lit.) |
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| MSDS | ChineseUSA | Flash Point | 82.2±0.0 °C |
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| Symbol |
GHS05, GHS07 | Signal Word | Danger |
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Names
| Name | 2,2,2-trideuterio-1-phenylethanone |
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| Synonym | More Synonyms |
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1-Phenyl(2H3)ethanone BiologicalActivity
| Description | Acetophenone-d3 is the deuterium labeled Acetophenone[1]. Acetophenone is an organic compound with simple structure[2]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>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. [2]. Żymańczyk-Duda E, et al. Reductive capabilities of different cyanobacterial strains towards acetophenone as a model substrate - Prospect of applications for chiral building blocks synthesis. Bioorg Chem. 2019 Feb 25. pii: S0045-2068(18)31467-6. |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 202.0±0.0 °C at 760 mmHg |
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| Melting Point | 19-20ºC(lit.) |
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| Molecular Formula | C8H5D3O |
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| Molecular Weight | 123.167 |
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| Flash Point | 82.2±0.0 °C |
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| Exact Mass | 123.076347 |
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| PSA | 17.07000 |
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| LogP | 1.66 |
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| Vapour Pressure | 0.3±0.4 mmHg at 25°C |
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| Index of Refraction | 1.512 |
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| InChIKey | KWOLFJPFCHCOCG-FIBGUPNXSA-N |
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| SMILES | CC(=O)c1ccccc1 |
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Safety Information
| Symbol |
GHS05, GHS07 |
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| Signal Word | Danger |
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| Hazard Statements | H302-H318 |
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| Precautionary Statements | P280-P305 + P351 + P338 |
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| Hazard Codes | Xn: Harmful; |
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| Risk Phrases | R22 |
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| Safety Phrases | 26 |
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| RIDADR | UN 3334 |
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| WGK Germany | 3 |
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Synonyms
| DE160 |
| Acetophenone-methyl-d3 |
| 1-Phenyl(H)ethanone |
| acetophenone-ss,ss,ss-d3 |
| MFCD00064445 |
| Acetophenone-|A,|A,|A-d3 |
| Ethanone-2,2,2-d, 1-phenyl- |
| Acetophenone-(methyl-d3) |
