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(2H)Ethynyl(2H5)benzene

Names

[ CAS No. ]:
25837-47-2

[ Name ]:
(2H)Ethynyl(2H5)benzene

[Synonym ]:
Phenylacetylene-d6
pentadeuterio-deuterioethynyl-benzene
Phenylacetylen-d6
Ethynylbenzene-d6
MFCD02093665
(H)Ethynyl(H)benzene
Benzene-1,2,3,4,5-d, 6-(ethynyl-d)-

Biological Activity

[Description]:

1-(Ethynyl-d)benzene-2,3,4,5,6-d5 is the deuterium labeled 1-(Ethynyl-d)benzene[1].

[Related Catalog]:

Research Areas >> Others
Signaling Pathways >> Others >> 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]:
1.0±0.1 g/cm3

[ Boiling Point ]:
142.4±9.0 °C at 760 mmHg

[ Molecular Formula ]:
C8D6

[ Molecular Weight ]:
108.170

[ Flash Point ]:
31.1±0.0 °C

[ Exact Mass ]:
108.084610

[ LogP ]:
2.40

[ Vapour Pressure ]:
7.0±0.1 mmHg at 25°C

[ Index of Refraction ]:
1.542

Safety Information

[ Symbol ]:

GHS02, GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H226-H315-H319

[ Precautionary Statements ]:
P305 + P351 + P338

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R10

[ Safety Phrases ]:
16-26-36/37/39-45

[ RIDADR ]:
UN 3295 3/PG 3

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Related Compounds