Introduction：Basic information about CAS 131842-77-8|3-Isopropyl-d7-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Isopropyl-d7-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide |
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| CAS Number | 131842-77-8 | Molecular Weight | 247.322 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 395.7±25.0 °C at 760 mmHg |
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| Molecular Formula | C10H5D7N2O3S | Melting Point | 131-134°C |
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| MSDS | ChineseUSA | Flash Point | 193.1±23.2 °C |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | 3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-one |
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| Synonym | More Synonyms |
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BiologicalActivity
| Description | Bentazone-d7 is the deuterium labeled Bentazone[1]. Bentazone is a post-emergence herbicide used for selective control of broadleaf weeds and sedges in beans, rice, corn, peanuts, mint and others. It acts by interfering with photosynthesis[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]. Lina Shi, et al. Herbicide Applications Increase Greenhouse Gas Emissions of Alfalfa Pasture in the Inland Arid Region of Northwest China. PeerJ. 2020 May 25;8:e9231. |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 395.7±25.0 °C at 760 mmHg |
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| Melting Point | 131-134°C |
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| Molecular Formula | C10H5D7N2O3S |
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| Molecular Weight | 247.322 |
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| Flash Point | 193.1±23.2 °C |
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| Exact Mass | 247.100800 |
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| PSA | 74.86000 |
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| LogP | 2.80 |
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| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
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| Index of Refraction | 1.583 |
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| InChIKey | ZOMSMJKLGFBRBS-QXMYYZBZSA-N |
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| SMILES | CC(C)N1C(=O)c2ccccc2NS1(=O)=O |
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| Storage condition | 2-8°C |
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H302-H317-H319-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: Harmful; |
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| Risk Phrases | R22 |
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| Safety Phrases | S24 |
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| RIDADR | NONH for all modes of transport |
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Synonyms
| Bentazon-d7 |
| 3-[(H)-2-Propanyl]-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide |
| 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-[1-(methyl-d)ethyl-1,2,2,2-d]-, 2,2-dioxide |
