4-(2-cyanoethyl)-4-(4-methylbenzoyl)heptanedinitrile

Names

[ CAS No. ]:
7461-85-0

[ Name ]:
4-(2-cyanoethyl)-4-(4-methylbenzoyl)heptanedinitrile

Chemical & Physical Properties

[ Density]:
1.102g/cm3

[ Boiling Point ]:
579.8ºC at 760 mmHg

[ Molecular Formula ]:
C18H19N3O

[ Molecular Weight ]:
293.36300

[ Flash Point ]:
304.5ºC

[ Exact Mass ]:
293.15300

[ PSA ]:
88.44000

[ LogP ]:
4.07544

[ Index of Refraction ]:
1.532

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MI9275000
CHEMICAL NAME :
Heptanedinitrile, 4-(2-cyanoethyl)-4-p-toluoyl-
CAS REGISTRY NUMBER :
7461-85-0
BEILSTEIN REFERENCE NO. :
3386692
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H19-N3-O
MOLECULAR WEIGHT :
293.40
WISWESSER LINE NOTATION :
NC2X2CN&2CN&VR D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 9,130,1957

Safety Information

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Acrylonitrile
  • 4'-Methylacetophenone

DownStream

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

  • 5,5-Dimethyl-2-[3-(2-propyn-1-yloxy)-1-propyn-1-yl]-1,3,2-dioxaborinane
  • 2-Amino-5-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
  • 2,5-Bis(2-chloroethyl) 2,5-pyridinedicarboxylate
  • N-tert-butyl-2-fluoropyridin-4-amine
  • 4-(2-Ethylpiperidin-1-yl)-2-fluoropyridine
  • 4-Bromo-1,2-indandione
  • N-cyclohexyl-2-fluoro-N-methylpyridin-4-amine
  • 2-Fluoro-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-4-amine
  • 1-[4-(2-Fluoropyridin-4-yl)piperazin-1-yl]ethan-1-one
  • 4-(3,5-Dimethylpiperidin-1-yl)-2-fluoropyridine
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