Imidazole-d4

Modify Date: 2024-01-03 18:46:28

Imidazole-d4 Structure
Imidazole-d4 structure
Common Name Imidazole-d4
CAS Number 6923-01-9 Molecular Weight 72.10190
Density 1.182g/cm3 Boiling Point 257ºC at 760 mmHg
Molecular Formula C3D4N2 Melting Point 89-91ºC
MSDS Chinese Flash Point 145ºC
Symbol GHS05 GHS07 GHS08
GHS05, GHS07, GHS08
Signal Word Danger

 Use of Imidazole-d4


Imidazole-d4 is the deuterium labeled Imidazole[1].

 Names

Name 1,2,4,5-tetradeuterioimidazole
Synonym More Synonyms

 Imidazole-d4 Biological Activity

Description Imidazole-d4 is the deuterium labeled Imidazole[1].
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.  

 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

 Safety Information

Symbol GHS05 GHS07 GHS08
GHS05, GHS07, GHS08
Signal Word Danger
Hazard Statements H302-H314-H360D
Precautionary Statements P201-P280-P305 + P351 + P338-P310
Hazard Codes C
Risk Phrases 22-34
Safety Phrases 22-26-36/37/39-45
RIDADR UN 3259 8/PG 2

 Synthetic Route

~10%

Imidazole-d4 Structure

Imidazole-d4

CAS#:6923-01-9

Literature: Shimodaira, Haruki; Abe, Toshifumi; Miyazawa, Akira; Kawanishi, Yuji; Abe, Taichi Patent: US2010/331540 A1, 2010 ; Location in patent: Page/Page column 10 ;

 Precursor & DownStream

Precursor  1

DownStream  1

 Articles2

More Articles
Far-Infrared Spectra and Hydrogen-Bond Frequencies of Imidazole. Perchard C and Novak A.

J. Chem. Phys. 48(7) , 3079-3084, (1968)

Synthesis of the perdeuterated cellulose solvents 1-ethyl-3-methylimidazolium acetate (EMIM-OAc-d14) and 1-butyl-3-methylimidazolium acetate (BMIM-OAc-d18) and of 2-13C-butyl-3-methylimidazolium acetate. Yoneda Y, et al.

J. Labelled Comp. Radiopharm. 52(6) , 223-226, (2009)

 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