CAS 39058-44-1|1-(2H5)Phenyl-1-butanone

Introduction：Basic information about CAS 39058-44-1|1-(2H5)Phenyl-1-butanone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. 1-(2H5)Phenyl-1-butanone BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	1-(2H5)Phenyl-1-butanone
CAS Number	39058-44-1	Molecular Weight	153.232
Density	1.0±0.1 g/cm3	Boiling Point	228.5±0.0 °C at 760 mmHg
Molecular Formula	C₁₀H₇D₅O	Melting Point	/
MSDS	/	Flash Point	88.9±0.0 °C

Names

Name	butyrophenone-2',3',4',5',6'-d5
Synonym	More Synonyms

1-(2H5)Phenyl-1-butanone BiologicalActivity

Description	1-Phenylbutan-1-one-d5 is the deuterium labeled 1-Phenylbutan-1-one[1].
Related Catalog	Research Areas >>OthersSignaling 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	228.5±0.0 °C at 760 mmHg
Molecular Formula	C₁₀H₇D₅O
Molecular Weight	153.232
Flash Point	88.9±0.0 °C
Exact Mass	153.120193
PSA	17.07000
LogP	2.73
Vapour Pressure	0.1±0.4 mmHg at 25°C
Index of Refraction	1.503
InChIKey	FFSAXUULYPJSKH-LOOCXSPQSA-N
SMILES	CCCC(=O)c1ccccc1
Storage condition	2-8°C

Synonyms

butyrophenone tosylhydrazone

n-butyrophenone tosylhydrazone

1-(H)Phenyl-1-butanone

1-Phenyl-butanon-tosylhydrazon

n-butyrophenone-d5

1-(H)Phenylbutan-1-one

1-Butanone, 1-(phenyl-d)-

1-Phenylbutanone-tosylhydrazone

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