2,2-dideuterio-2-phenylacetic acid

Names

[ CAS No. ]:
1076-07-9

[ Name ]:
2,2-dideuterio-2-phenylacetic acid

[Synonym ]:
MFCD00075154
Phenylacetic-2,2-d2 acid
Phenylacetic acid-|A,|A-d2
<2,2-D2>Phenylessigsaeure

Chemical & Physical Properties

[ Density]:
1.182g/cm3

[ Boiling Point ]:
265.5ºC at 760 mmHg

[ Melting Point ]:
76-78ºC(lit.)

[ Molecular Formula ]:
C8H6D2O2

[ Molecular Weight ]:
138.16000

[ Flash Point ]:
156.2ºC

[ Exact Mass ]:
138.06500

[ PSA ]:
37.30000

[ LogP ]:
1.31370

[ Vapour Pressure ]:
0.00456mmHg at 25°C

[ Index of Refraction ]:
1.552

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
26-36

[ RIDADR ]:
UN 3335

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Phenylacetic acid
  • Sodium phenylacetate
  • Carbon dioxide
  • BENZYL-α,α-D2 CHLORIDE
  • Benzyl cyanide
  • Phenyl(2H2)methanol
  • Ethyl benzoate
  • Methyl benzoate

DownStream

  • 2-Phenylethanol-d4
  • BENZYL-α,α-D2 CHLORIDE
  • Phenethyl alcohol
  • 2-fluoroethylbenzene

Related Compounds

  • 2,2-dideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)acetic acid
  • 2-(2-ethoxyphenoxy)-2-phenylacetic acid
  • 2-(2-methylphenoxy)-2-phenylacetic acid
  • 2-(2-chlorophenoxy)-2-phenylacetic acid
  • 2-(2-Bromoallyl)-2-phenylacetic acid 3-(diethylamino)-2,2-dimethylpropyl ester
  • 2-(2-methoxyphenoxy)-2-phenylacetic acid