1,1,2,2-Cyclopropanetetracarbonitrile,3,3-dimethyl-

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Names

[ CAS No. ]:
13017-67-9

[ Name ]:
1,1,2,2-Cyclopropanetetracarbonitrile,3,3-dimethyl-

[Synonym ]:
3,3-dimethyl-1,1,2,2-tetracyanopropane
dimethyl-cyclopropane-1,1,2,2-tetracarbonitrile
Dimethyl-cyclopropan-1,1,2,2-tetracarbonitril
3,3-Dimethyl-1,1,2,2-tetracyanocyclopropan
2,2,3,3-tetracyano-1,1-dimethylcyclopropane
1,1,2,2-CYCLOPROPANETETRACARBONITRILE,3,3-DIMETHYL
1,1,2,2-tetracyano-3,3-dimethylcyclopropane

Chemical & Physical Properties

[ Density]:
1.25g/cm3

[ Boiling Point ]:
468.5ºC at 760mmHg

[ Molecular Formula ]:
C9H6N4

[ Molecular Weight ]:
170.17100

[ Flash Point ]:
249.5ºC

[ Exact Mass ]:
170.05900

[ PSA ]:
95.16000

[ LogP ]:
1.09332

[ Vapour Pressure ]:
5.96E-09mmHg at 25°C

[ Index of Refraction ]:
1.524

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GZ2220000
CHEMICAL NAME :
1,1,2,2-Cyclopropanetetracarbonitrile, 3,3-dimethyl-
CAS REGISTRY NUMBER :
13017-67-9
BEILSTEIN REFERENCE NO. :
2576343
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H6-N4
MOLECULAR WEIGHT :
170.19
WISWESSER LINE NOTATION :
L3TJ ACN ACN BCN BCN C1 C1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01734

Safety Information

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • UNII:95GG0L5YGE
  • Malononitrile
  • 2-(2-methylpropylidene)propanedinitrile
  • Tetracyanoethylene
  • 2-Diazopropane
  • Acetone
  • Bromomalononitrile

DownStream

  • 5-(Aminocarbonyl)-6,6-dimethyl-2,4-dioxo-3-azabicyclo(3.1.0)hexane-1-carboxylic acid
  • 6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
  • 6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
  • 4,4-DIMETHYL ITACONIC ACID

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

  • 3-Methoxybicyclo[1.1.1]pentane-1-carboxamidine
  • 3-amino-N-hydroxybicyclo[1.1.1]pentane-1-carboxamide
  • 5-Methyl-2-oxa-6-azaspiro[3.4]octane
  • 2-Fluoro-4-azabicyclo[5.1.0]octane
  • 2,3-difluoro-5-((2)H)methyl((2)H)pyridine
  • [1,2,4]Triazolo[4,3-c]pyrimidin-8-amine
  • 5-fluoro(3,4,6-(2)H)pyridine-2-carbaldehyde
  • 2,5-difluoro(3-(2)H)aniline
  • 3,4-difluoro(5-(2)H)aniline
  • 1-methyl(4-(2)H)-1H-pyrrolo[2,3-b]pyridine
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