71777-36-1

71777-36-1 structure

Name: Acetophenone-13C
Chemical Name: 1-phenylethanone-2-13C
CAS Number: 71777-36-1
Molecular Formula: C₈H₈O
Molecular Weight: 121.14100
Catalog: Research Areas Others
Create Date: 2018-02-27 08:00:00
Modify Date: 2024-01-04 12:58:06
Acetophenone-13C is the 13C labeled Acetophenone[1]. Acetophenone is an organic compound with simple structure[2].

Name	1-phenylethanone-2-13C
Synonyms	1-phenyl-[2-13C]ethanone [8-13C]acetophenone Acetophenone-\|A-13C Acetophenone-(methyl-13C) MFCD00064444

Description	Acetophenone-13C is the 13C labeled Acetophenone[1]. Acetophenone is an organic compound with simple structure[2].
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. [2]. Żymańczyk-Duda E, et al. Reductive capabilities of different cyanobacterial strains towards acetophenone as a model substrate - Prospect of applications for chiral building blocks synthesis. Bioorg Chem. 2019 Feb 25. pii: S0045-2068(18)31467-6.

Density	1.038 g/mL at 25ºC
Boiling Point	202ºC(lit.)
Melting Point	19-20ºC(lit.)
Molecular Formula	C₈H₈O
Molecular Weight	121.14100
Flash Point	180 °F
Exact Mass	121.06100
PSA	17.07000
LogP	1.88920
Index of Refraction	n20/D 1.5335(lit.)

Symbol	GHS05, GHS07
Signal Word	Danger
Hazard Statements	H302-H318
Precautionary Statements	P280-P305 + P351 + P338
Hazard Codes	Xn: Harmful;
Risk Phrases	R22
Safety Phrases	26
RIDADR	UN 3334

91230-88-5

~64%

71777-36-1

Literature: Kuninobu, Yoichiro; Ueda, Hirokazu; Kawata, Atsushi; Takai, Kazuhiko Journal of Organic Chemistry, 2007 , vol. 72, # 18 p. 6749 - 6752

100-52-7

71777-36-1

Literature: Baldwin, John E.; Barden, Timothy C. Journal of the American Chemical Society, 1984 , vol. 106, # 18 p. 5312 - 5319

14770-40-2

71-43-2

71777-36-1

Literature: Wang, Peng; Liao, Saihu; Zhu, Jian-Bo; Tang, Yong Organic Letters, 2013 , vol. 15, # 14 p. 3606 - 3609

105176-13-4

100-47-0

~33%

71777-36-1

Literature: Budesinsky, Milos; Kulhanek, Jiri; Boehm, Stanislav; Cigler, Petr; Exner, Otto Magnetic Resonance in Chemistry, 2004 , vol. 42, # 10 p. 844 - 851

Precursor 5
100-52-7 14770-40-2 71-43-2 105176-13-4
100-47-0
DownStream 2
72802-79-0 54522-92-8

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