CAS Number6923-01-9
SynonymsMFCD00082554; fully deuterated imidazole; imidazole-2,4,5-d3; 1H-Imidazole-1,2,4,5-d4; Imidazole-d4; 1,2,4,5-deuterated imidazole; imidazole D1245; 1,2,4,5-tetradeutero-imidazole
Molecular FormulaC3D4N2
Molecular Weight72.10
Purity99 (CP)%
Density1.182g/cm3
Boiling Point256 °C (lit.)
Melting Point89-91 °C (lit.)
Appearancepowder
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 6923-01-9 |
| Catalog No. | 2A-9033239 |
| Chinese Name | 1H-咪唑 |
| Synonyms | MFCD00082554; fully deuterated imidazole; imidazole-2,4,5-d3; 1H-Imidazole-1,2,4,5-d4; Imidazole-d4; 1,2,4,5-deuterated imidazole; imidazole D1245; 1,2,4,5-tetradeutero-imidazole |
| Molecular Formula | C3D4N2 |
| Molecular Weight | 72.10 |
| Purity | 99 (CP) |
| Density | 1.182g/cm3 |
| Boiling Point | 256 °C (lit.) |
| Melting Point | 89-91 °C (lit.) |
| Appearance | powder |
| Application | Imidazole-d4 is deuterium-labeled imidazole [1]. |
| PubChem ID | 24867362 |
| MDL Number | MFCD00082554 |
| SMILES | [2H]c1nc([2H])n([2H])c1[2H] |
| InChI | 1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/i1D,2D,3D/hD |
| InChI Key | RAXXELZNTBOGNW-MSWVZFBTSA-N |
| NACRES Code | NA.11 |
| UNSPSC | 12142201 |
| Hazard Symbols | transportation |
| MSDS | msds/33239_1_6923_01_9.pdf |
| Bioactivity | Imidazole-d4 is the deuterium labeled Imidazole[1]. Related Catalog Research Areas >> Others 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. Chemical & Physical Properties Density 1.182g/cm3 Boiling Point 257ºC at 760 mmHg Melting Point 89-91ºC Molecular Formula C3D4N2 Molecular Weight 72.10190 Flash Point 145ºC Exact Mass 72.06260 PSA 28.68000 LogP 0.40970 Index of Refraction 1.528 InChIKey RAXXELZNTBOGNW-MSWVZFBTSA-N SMILES c1c[nH]cn1 |
| Use of | Imidazole-d4 is the deuterium labeled Imidazole[1]. Properties Name 1,2,4,5-tetradeuterioimidazole Synonym More Synonyms Imidazole-d4 Biological Activity Description Imidazole-d4 is the deuterium labeled Imidazole[1]. Related Catalog Research Areas >> Others 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. Chemical & Physical Properties Molecular Formula C3D4N2 Exact Mass 72.06260 PSA 28.68000 LogP 0.40970 Index of Refraction 1.528 InChIKey RAXXELZNTBOGNW-MSWVZFBTSA-N |
| 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: 3263 International Maritime Danger Regulations: 3263 International Air Transport Danger Regulations: 3263 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: CORROSIVE SOLID, BASIC, ORGANIC, N.O.S. (Imidazole-d4) IMDG Code: CORROSIVE SOLID, BASIC, ORGANIC, N.O.S. (Imidazole-d4) International Air Transport Regulations: Corrosive solid, basic, organic, n.o.s. (Imidazole-d4) 14.3 Transport hazard categories European Dangerous Regulations for land transport: 8 International Dangerous Regulations for sea transport: 8 International Dangerous Regulations for air transport: 8 14.4 Package group European Dangerous Regulations for land transport: II International Dangerous Regulations for sea transport: II International Dangerous Regulations for air transport: II 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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