Pentamethyl-1,3-benzenediacetonitrile

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Names

[ CAS No. ]:
120511-72-0

[ Name ]:
Pentamethyl-1,3-benzenediacetonitrile

[Synonym ]:
MFCD08062446
α1,α1,α3,α3,5-Pentamethyl-1,3-benzenediacetonitrile
2,2'-(5-Methyl-1,3-phenylene)bis(2-methylpropanenitrile)
α,α,α',α',5-Pentamethyl-1,3-benzenediacetonitrile
3,5-Bis(2-cyanoprop-2-yl)toluene
1,3-Benzenediacetonitrile, α,α,α,α,5-pentamethyl-
NCX1&1&R C1 EX1&1&CN
1,3-Benzenediacetonitrile, α1,α1,α3,α3,5-pentamethyl-
2,2'-(5-methylbenzene-1,3-diyl)bis(2-methylpropanenitrile)
Pentamethyl-1,3-benzenediacetonitrile
Anastrozole Impurity 13

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
339.1±32.0 °C at 760 mmHg

[ Melting Point ]:
127-130ºC

[ Molecular Formula ]:
C15H18N2

[ Molecular Weight ]:
226.317

[ Flash Point ]:
146.3±19.0 °C

[ Exact Mass ]:
226.147003

[ PSA ]:
47.58000

[ LogP ]:
2.53

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.511

[ Storage condition ]:
Refrigerator

MSDS

Click to get detail MSDS

Safety Information

[ Hazard Codes ]:
Xi

[ RIDADR ]:
NONH for all modes of transport

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 5-Methyl-1,3-benzenediacetonitrile
  • methyl iodide
  • Methyl p-toluenesulfonate
  • 3,5-Dibromotoluene
  • potassium 2-cyano-2-methylpropanoate
  • 3,5-Bis(2-cyanoprop-2-yl)benzyl bromide
  • 1,2,4-Triazolylsodium

DownStream

  • Anastrozole
  • 3,5-Bis(2-cyanoprop-2-yl)benzyl bromide

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Related Compounds

  • 2-[3-(CYANOMETHYL)-2,4,5,6-TETRAMETHYLPHENYL]PROPANENITRILE
  • 5-Methyl-1,3-benzenediacetonitrile
  • 5-ethyl-pentamethyl-1,3-cyclopentadiene
  • α1,α1,5-Trimethyl-1,3-benzenediacetonitrile
  • 1,1,3,5,5-Pentamethyl-1,3,5-trivinyltrisiloxane
  • 2,4,4,6,6-pentamethyl-[1,3]dioxane
  • (4-Bromo-3-fluorophenyl)(2-oxa-6-azaspiro[3.3]hept-6-yl)methanone
  • 4-bromo-3-methoxy-N-(oxetan-3-yl)benzamide
  • 7-Bromo-7-(2-chlorophenyl)-2,2-dimethylheptanoic acid ethyl ester
  • (4-Bromo-3-hydroxyphenyl)(morpholin-4-yl)methanone
  • 4-(2-Amino[1,2,4]triazolo[1,5-alpha]pyridin-6-yl)-N-(cyclopropylmethyl)benzamide
  • (4-Bromo-3-methoxyphenyl)(4-methylpiperazin-1-yl)methanone
  • 6-Methoxy-2-vinyl-nicotinic acid methyl ester
  • (2R)-1-(2H-Tetrazol-2-yl)propan-2-amine hydrochloride
  • 2-Chloro-6-ethoxynaphthalene
  • Ethyl 5-(4-fluorophenyl)-1-methyl-4-oxo-1,4-dihydropyridine-3-carboxylate
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