Propanedinitrile,2-(1,3-benzodioxol-5-ylmethylene)-

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Names

[ CAS No. ]:
2972-82-9

[ Name ]:
Propanedinitrile,2-(1,3-benzodioxol-5-ylmethylene)-

[Synonym ]:
(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethylene)methane-1,1-dicarbonitrile
benzo[1,3]dioxol-5-ylmethylene-malononitrile
MALONONITRILE,(PIPERONYLIDENE)
2-(3,4-methylenedioxyphenylmethylene)malonitrile
Piperonylidenemalononitrile
(Benzo[3,4-d]1,3-dioxolan-5-ylmethylene)methane-1,1-dicarbonitrile
2-benzo[1,3]dioxol-5-ylmethylene-malononitrile
2-((benzo[d][1,3]dioxol-5-yl)methylene)malononitrile

Chemical & Physical Properties

[ Density]:
1.369 g/cm3

[ Boiling Point ]:
369.8ºC at 760 mmHg

[ Molecular Formula ]:
C11H6N2O2

[ Molecular Weight ]:
198.17800

[ Flash Point ]:
158.7ºC

[ Exact Mass ]:
198.04300

[ PSA ]:
66.04000

[ LogP ]:
1.84586

[ Vapour Pressure ]:
1.16E-05mmHg at 25°C

[ Index of Refraction ]:
1.647

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OO4409000
CHEMICAL NAME :
Malononitrile, (piperonylidene)-
CAS REGISTRY NUMBER :
2972-82-9
BEILSTEIN REFERENCE NO. :
0181717
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H6-N2-O2
MOLECULAR WEIGHT :
198.19
WISWESSER LINE NOTATION :
T56 BO DO CHJ G1UYCN&CN

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 :
56 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#07730

Safety Information

[ Hazard Codes ]:
Xi

[ HS Code ]:
2932999099

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • piperonal
  • Malononitrile
  • 5-Isobenzofurancarboxaldehyde, 1,3-dihydro- (9CI)
  • 1,2-bis(benzo[d][1,3]dioxol-5-yl)ethane-1,2-diol

DownStream

Customs

[ HS Code ]: 2932999099

[ Summary ]:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 1-Chloro-3-(4-(methylthio)-2-(trifluoromethoxy)phenyl)propan-2-one
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide