CAS Number163165-75-1
SynonymsGesamprim-d5; AAtrex-d5; Atrazine-d5; 6-Chlor-N-(H)ethyl-N'-isopropyl-1,3,5-triazin-2,4-diamin; 6-Chloro-N-(H)éthyl-N'-isopropyl-1,3,5-triazine-2,4-diamine; 6-Chloro-N-(H)ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine; 2-Chloro-4-pentadeuteroethylamino-6-isopropylamino-1,3,5-triazine; Gesaprim-d5
Molecular FormulaC8H9D5ClN5
Molecular Weight220.71
Density1.3±0.1 g/cm3
Boiling Point368.5±25.0 °C at 760 mmHg
Melting Point171-174ºC
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 163165-75-1 |
| Catalog No. | 2A-2197148 |
| Chinese Name | 阿特拉津-D5 |
| Synonyms | Gesamprim-d5; AAtrex-d5; Atrazine-d5; 6-Chlor-N-(H)ethyl-N'-isopropyl-1,3,5-triazin-2,4-diamin; 6-Chloro-N-(H)éthyl-N'-isopropyl-1,3,5-triazine-2,4-diamine; 6-Chloro-N-(H)ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine; 2-Chloro-4-pentadeuteroethylamino-6-isopropylamino-1,3,5-triazine; Gesaprim-d5 |
| Molecular Formula | C8H9D5ClN5 |
| Molecular Weight | 220.71 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 368.5±25.0 °C at 760 mmHg |
| Melting Point | 171-174ºC |
| Storage Condition | 0-6°C |
| Application | Atrazine-D5 is deuterium labeled atrazine. Atrazine is primarily used to control certain annual broadleaf weeds and grassy weeds. Atrazine inhibits photophosphorylation but does not usually cause fata |
| PubChem ID | 329754781 |
| MDL Number | MFCD00143637 |
| SMILES | [2H]C([2H])([2H])C([2H])([2H])Nc1nc(Cl)nc(NC(C)C)n1 |
| InChI | 1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)/i1D3,4D2 |
| InChI Key | MXWJVTOOROXGIU-SGEUAGPISA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| Hazard Symbols | transportation |
| MSDS | msds/198966_1_163165_75_1.pdf |
| Bioactivity | Atrazine-d5 is deuterium labeled Atrazine. Atrazine is principally used for control of certain annual broadleaf and grass weeds. Atrazine inhibits photophosphorylation but typically does not result in lethality or permanent cell damage in the short term[1]. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Metabolic Disease 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;53(2):211-216. [2]. Solomon KR , et al. Ecological risk assessment of atrazine in North American surface waters. Environ Toxicol Chem. 2013 Jan;32(1):10-1. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 368.5±25.0 °C at 760 mmHg Melting Point 171-174ºC Molecular Formula C8H9D5ClN5 Molecular Weight 220.71 Flash Point 176.6±23.2 °C Exact Mass 220.125153 PSA 62.73000 LogP 2.63 Vapour Pressure 0.0±0.8 mmHg at 25°C Index of Refraction 1.605 InChIKey MXWJVTOOROXGIU-SGEUAGPISA-N SMILES CCNc1nc(Cl)nc(NC(C)C)n1 Storage condition 0-6°C |
| Use of | Atrazine-d5 is deuterium labeled Atrazine. Atrazine is principally used for control of certain annual broadleaf and grass weeds. Atrazine inhibits photophosphorylation but typically does not result in lethality or permanent cell damage in the short term[1]. Properties Name 6-chloro-2-N-(1,1,2,2,2-pentadeuterioethyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine Synonym More Synonyms atrazine d5 Biological Activity Description Atrazine-d5 is deuterium labeled Atrazine. Atrazine is principally used for control of certain annual broadleaf and grass weeds. Atrazine inhibits photophosphorylation but typically does not result in lethality or permanent cell damage in the short term[1]. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Metabolic Disease 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;53(2):211-216. [2]. Solomon KR , et al. Ecological risk assessment of atrazine in North American surface waters. Environ Toxicol Chem. 2013 Jan;32(1):10-1. Chemical & Physical Properties Exact Mass 220.125153 PSA 62.73000 Index of Refraction 1.605 InChIKey MXWJVTOOROXGIU-SGEUAGPISA-N SMILES CCNc1nc(Cl)nc(NC(C)C)n1 |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 3077 International Maritime Transport Danger Regulations: 3077 International Air Transport Danger Regulations: 3077 14.2 Names specified by the United Nations (UN) European land transport hazard regulations: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (Atrazine-d5) IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (Atrazine-d5) International air transport hazard regulations: Environmentally hazardous substance, solid, n.o.s. (Atrazine-d5) 14.3 Transport hazard categories European land transport Dangerous Regulations: 9 International sea transport Dangerous Regulations: 9 International air transport Dangerous Regulations: 9 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: Yes International Maritime Transport Dangerous Regulations Maritime Pollutants: Yes International Air Transport Dangerous Regulations: Yes 14.6 Special reminder to users further information Dangerous goods are individually packaged, with liquids exceeding 5 liters or solids exceeding 5 kilograms. The outer packaging of each independent package and the combined independent inner package must have EHS on it. Identification (according to European ADR Regulation 2.2.9.1.10, IMDG Regulation 2.10.3), |
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