1,2,3,4,5-pentadeuterio-6-methylbenzene

Names

[ CAS No. ]:
1603-99-2

[ Name ]:
1,2,3,4,5-pentadeuterio-6-methylbenzene

[Synonym ]:
ar-pentadeuterio-toluene
2,3,4,5,6-pentadeuteriotoluene
Methylbenzene-d5
MFCD00084186
1,2,3,4,5-pentadeuterio-6-methyl-benzene
Toluene-2,3,4,5,6-d5

Chemical & Physical Properties

[ Density]:
0.912 g/mL at 25ºC

[ Boiling Point ]:
110ºC(lit.)

[ Melting Point ]:
-93ºC(lit.)

[ Molecular Formula ]:
C7H3D5

[ Molecular Weight ]:
97.16920

[ Flash Point ]:
40 °F

[ Exact Mass ]:
97.09400

[ LogP ]:
1.99500

[ Vapour Pressure ]:
27.7mmHg at 25°C

[ Index of Refraction ]:
n20/D 1.495(lit.)

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS02, GHS07, GHS08, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H225-H304-H315-H319-H332-H336-H361d-H373-H411

[ Precautionary Statements ]:
P210-P260-P280-P301 + P310-P370 + P378-P403 + P235

[ Hazard Codes ]:
F: Flammable;Xn: Harmful;

[ Risk Phrases ]:
11-38-48/20-63-65-67

[ Safety Phrases ]:
36/37-46-62

[ RIDADR ]:
UN 1294 3/PG 2

Synthetic Route

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Precursor & DownStream

Precursor

  • Toluene
  • Carbon dioxide
  • Benzene-d6
  • Triethylsilane
  • Methyl fluoride

DownStream

  • (2H5)Benzoic acid
  • Benzyl-d5 Bromide
  • 2,4-dinitrotoluene (ring-d3)
  • 2-Acetylphenyl benzoate

Related Compounds

  • 1,2,3,4,5-pentadeuterio-6-ethenylbenzene
  • 1,2,3,4,5-pentadeuterio-6-(dideuteriomethyl)benzene
  • 1,2,3,4,5-pentadeuterio-6-(4-nitrophenyl)benzene
  • 1,2,3,4,5-pentadeuterio-6-(1,1-dideuterioethyl)benzene
  • 1,2,3,4,5-pentadeuterio-6-(1-deuterioethenyl)benzene
  • 1,2,3,4,5-pentadeuterio-6-isocyanatobenzene