131842-77-8

131842-77-8 structure
131842-77-8 structure

Name 3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-one
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
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].
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.  

[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.  

Density 1.3±0.1 g/cm3
Boiling Point 395.7±25.0 °C at 760 mmHg
Melting Point 131-134°C
Molecular Formula C10H5D7N2O3S
Molecular Weight 247.322
Flash Point 193.1±23.2 °C
Exact Mass 247.100800
PSA 74.86000
LogP 2.80
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.583
Storage condition 2-8°C
Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H317-H319-H412
Precautionary Statements P273-P280-P305 + P351 + P338
Personal Protective Equipment Eyeshields;Gloves
Hazard Codes Xn: Harmful;
Risk Phrases R22
Safety Phrases S24
RIDADR NONH for all modes of transport