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

Modify Date: 2024-04-05 17:13:36

1,2,3,4,5-pentadeuterio-6-methylbenzene Structure
1,2,3,4,5-pentadeuterio-6-methylbenzene structure
Common Name 1,2,3,4,5-pentadeuterio-6-methylbenzene
CAS Number 1603-99-2 Molecular Weight 97.16920
Density 0.912 g/mL at 25ºC Boiling Point 110ºC(lit.)
Molecular Formula C7H3D5 Melting Point -93ºC(lit.)
MSDS USA Flash Point 40 °F
Symbol GHS02 GHS07 GHS08 GHS09
GHS02, GHS07, GHS08, GHS09
Signal Word Danger

 Names

Name 1,2,3,4,5-pentadeuterio-6-methylbenzene
Synonym More Synonyms

 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.)

 Safety Information

Symbol GHS02 GHS07 GHS08 GHS09
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

~%

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

1,2,3,4,5-penta...

CAS#:1603-99-2

Literature: Rabinowitsch; Gorbuschenkow Doklady Akademii Nauk SSSR, 1958 , vol. 120, p. 566 Doklady Physical Chemistry, 118-123 <1958> 371

~%

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

1,2,3,4,5-penta...

CAS#:1603-99-2

Literature: Giunta, Daniela; Hoelscher, Markus; Lehmann, Christian W.; Mynott, Richard; Wirtz, Cornelia; Leitner, Walter Advanced Synthesis and Catalysis, 2003 , vol. 345, # 9-10 p. 1139 - 1145

~5%

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

1,2,3,4,5-penta...

CAS#:1603-99-2

Literature: Khandelwal, Manish; Wehmschulte, Rudolf J. Angewandte Chemie - International Edition, 2012 , vol. 51, # 29 p. 7323 - 7326

~17%

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

1,2,3,4,5-penta...

CAS#:1603-99-2

Literature: Khandelwal, Manish; Wehmschulte, Rudolf J. Angewandte Chemie - International Edition, 2012 , vol. 51, # 29 p. 7323 - 7326

~25%

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

1,2,3,4,5-penta...

CAS#:1603-99-2

Detail
Literature: Khandelwal, Manish; Wehmschulte, Rudolf J. Angewandte Chemie - International Edition, 2012 , vol. 51, # 29 p. 7323 - 7326

~1%

Detail
Literature: Khandelwal, Manish; Wehmschulte, Rudolf J. Angewandte Chemie - International Edition, 2012 , vol. 51, # 29 p. 7323 - 7326

~%

Detail
Literature: Ahrens, Mike; Scholz, Gudrun; Braun, Thomas; Kemnitz, Erhard Angewandte Chemie - International Edition, 2013 , vol. 52, # 20 p. 5328 - 5332 Angew. Chem., 2013 , vol. 125, # 20 p. 5436 - 5440,5

 Synonyms

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