Acetophenone-13C

Names

[ CAS No. ]:
71777-36-1

[ Name ]:
Acetophenone-13C

[Synonym ]:
1-phenyl-[2-13C]ethanone
[8-13C]acetophenone
Acetophenone-|A-13C
Acetophenone-(methyl-13C)
MFCD00064444

Chemical & Physical Properties

[ 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.)

MSDS

Safety Information

[ 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

Synthetic Route

Precursor & DownStream

Precursor

  • Benzaldehyde
  • Acetyl-2-13C chloride
  • benzene
  • [13C]methylmagnesium iodide
  • Benzonitrile

DownStream

  • tetrabromomethane
  • ethynylbenzene

Related Compounds

  • acetophenone-13C
  • Acetophenone oxime
  • Acetophenone, 2-chloro-3-ethyl- (8CI)
  • Acetophenone O-[[4-(3,4-methylenedioxybenzyl)piperazino]carbonylmethyl]oxime
  • Acetophenone O-[(4-methylpiperazino)carbonylmethyl]oxime
  • Acetophenone O-(morpholinocarbonylmethyl)oxime
  • 4-Cyclobutyl-6-(4,4-difluoropiperidin-1-yl)pyrimidine
  • 2-[1-(5-Chloropyridin-2-yl)piperidin-4-yl]oxy-4-(trifluoromethyl)pyrimidine
  • 4-Ethyl-6-(4-{[4-(trifluoromethyl)pyrimidin-2-yl]oxy}piperidin-1-yl)pyrimidine
  • 1-(2-Methoxypyridin-4-yl)-4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one
  • 3-{4-[(5-Fluoropyrimidin-2-yl)oxy]piperidin-1-yl}pyridine-2-carbonitrile
  • 3-[3-(2-methyl-1H-1,3-benzodiazol-1-yl)azetidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
  • 3-(3-{Methyl[(3-methyl-1,2-oxazol-5-yl)methyl]amino}azetidin-1-yl)pyrazine-2-carbonitrile
  • 3-{3-[(3-Bromopyridin-4-yl)oxy]pyrrolidin-1-yl}pyridine-2-carbonitrile
  • 4-(4-Methoxypyrimidin-2-yl)-1-[2-(trifluoromethyl)pyridin-4-yl]piperazin-2-one
  • 3-[3-Oxo-4-[2-(trifluoromethyl)pyridin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile
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