Introduction：Basic information about CAS 349553-95-3|3,6-Dichloro-2-[(2H3)methyloxy]benzoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3,6-Dichloro-2-[(2H3)methyloxy]benzoic acid |
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| CAS Number | 349553-95-3 | Molecular Weight | 224.06 |
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| Density | 1.5±0.1 g/cm3 | Boiling Point | 326.1±37.0 °C at 760 mmHg |
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| Molecular Formula | C8H3D3Cl2O3 | Melting Point | 114-116ºC |
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| MSDS | ChineseUSA | Flash Point | 151.0±26.5 °C |
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| Symbol |
GHS05, GHS07 | Signal Word | Danger |
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Names
| Name | 3,6-dichloro-2-(trideuteriomethoxy)benzoic acid |
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| Synonym | More Synonyms |
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BiologicalActivity
| Description | Dicamba-d3 is the deuterium labeled Methyl (3,4-dichlorophenyl)carbamate[1]. |
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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[75]. |
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| References | [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-223. |
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Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
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| Boiling Point | 326.1±37.0 °C at 760 mmHg |
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| Melting Point | 114-116ºC |
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| Molecular Formula | C8H3D3Cl2O3 |
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| Molecular Weight | 224.06 |
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| Flash Point | 151.0±26.5 °C |
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| Exact Mass | 222.988235 |
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| PSA | 46.53000 |
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| LogP | 2.76 |
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| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
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| Index of Refraction | 1.577 |
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| InChIKey | IWEDIXLBFLAXBO-FIBGUPNXSA-N |
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| SMILES | COc1c(Cl)ccc(Cl)c1C(=O)O |
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| Storage condition | Refrigerator |
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Safety Information
| Symbol |
GHS05, GHS07 |
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| Signal Word | Danger |
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| Hazard Statements | H302-H318-H412 |
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| Precautionary Statements | P273-P280-P305 + P351 + P338 |
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| Personal Protective Equipment | Eyeshields;Gloves |
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| Hazard Codes | Xn |
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| Risk Phrases | 22-41-52/53 |
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| Safety Phrases | 26-61 |
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| RIDADR | UN 3077 9/PG 3 |
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Synonyms
| 3,6-Dichloro-2-methoxy-d3-benzoic Acid |
| 3,6-Dichloro-2-[(H)methyloxy]benzoic acid |
| Dianat-d3 |
| Dicamba-d3 |
| Benzoic acid, 3,6-dichloro-2-(methyl-d-oxy)- |
| Velsicol 58-CS-11-d3 |
| Banvel-d3 |
| Clarity-d3 |
