2,4,6-trimethylbenzene-1,3,5-tricarbonitrile

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Names

[ CAS No. ]:
1206-85-5

[ Name ]:
2,4,6-trimethylbenzene-1,3,5-tricarbonitrile

[Synonym ]:
2,4,6-Trimethyl-1,3,5-benzenetricarbonitrile
1,3,5-tricyanomesitylene
trimethyl-benzene-1,3,5-tricarbonitrile
2,4,6-tricyano-1,3,5-trimethylbenzene
2,4,6-Trimethyltrimesonitrile
Trimethyl-benzol-1,3,5-tricarbonitril
2,4,6-Tricyan-1,3,5-trimethyl-benzol
1,3,5-Benzenetricarbonitrile,2,4,6-trimethyl
2,4,6-tricyanomesitylene
1,3,5-Tricyano-2,4,6-trimethyl-benzol

Chemical & Physical Properties

[ Density]:
1.16g/cm3

[ Boiling Point ]:
348.9ºC at 760 mmHg

[ Melting Point ]:
182 °C

[ Molecular Formula ]:
C12H9N3

[ Molecular Weight ]:
195.22000

[ Flash Point ]:
164.4ºC

[ Exact Mass ]:
195.08000

[ PSA ]:
71.37000

[ LogP ]:
2.22684

[ Vapour Pressure ]:
4.88E-05mmHg at 25°C

[ Index of Refraction ]:
1.56

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DC1977000
CHEMICAL NAME :
1,3,5-Benzenetricarbonitrile, 2,4,6-trimethyl-
CAS REGISTRY NUMBER :
1206-85-5
BEILSTEIN REFERENCE NO. :
2618496
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H9-N3
MOLECULAR WEIGHT :
195.24
WISWESSER LINE NOTATION :
NCR B1 D1 F1 CCN ECN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
40 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 21,906,1978

Safety Information

[ Hazard Codes ]:
T+

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Benzene,1,3,5-tribromo-2,4,6-trimethyl-
  • Copper cyanide

DownStream

  • 2,4,6-trimethylbenzene-1,3,5-tricarbaldehyde

Related Compounds

  • 2,4,6-trimethylbenzene-1,3,5-tricarbaldehyde
  • Trimethylphloroglucinol
  • mesitylenetribenzoic acid
  • 5,5',5''-(((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(oxy))triisophthalic acid
  • 4,4',4''-(((2,4,6-triMethylbenzene-1,3,5-triyl)tris(Methylene))tris(oxy))tribenzoic acid
  • 6,6',6''-(2,4,6-trimethylbenzene-1,3,5-triyl)tris(2-naphthoic acid)
  • Cordran-N
  • Combivent Respimat
  • Reserpine, hydralazine, hydrochlorothiazide combination
  • (1S,3S)-2,2-dichloro-3-phenylcyclopropane-1-carbonitrile
  • 4-(Cyclopropylmethoxy)benzene-1,2-diamine
  • 3-[(2-Methoxy-2-oxoethyl)sulfanyl]propanoic acid
  • 1-[2-(4-Chloroanilino)-5-nitropyrimidin-4-yl]piperidin-3-ol
  • 2-(Thiophen-2-yl)propan-2-amine hydrochloride
  • Butyl 6-(aminocarbonyl)-3-pyridinecarboxylate
  • 2-(3-Methoxyphenyl)-1-(3-pyridinyl)ethanamine