375713
1,1,3,3-Propanetetracarbonitrile
97%
Synonym(s):
1,1,3,3-Tetracyanopropane
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About This Item
Linear Formula:
(NC)2CHCH2CH(CN)2
CAS Number:
Molecular Weight:
144.13
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
assay
97%
mp
134-139 °C (lit.)
SMILES string
N#CC(CC(C#N)C#N)C#N
InChI
1S/C7H4N4/c8-2-6(3-9)1-7(4-10)5-11/h6-7H,1H2
Inchi Key
QHNAZGXMVZNHLI-UHFFFAOYSA-N
General description
1,1,3,3-Propanetetracarbonitrile (1,1,3,3-Tetracyanopropane) has been prepared by the Knoevenagel reaction between formaldehyde and malonitrile in the presence of β-alanine (base). 1H, 13C NMR, vibrational and mass spectroscopic investigations suggest that its crystals exhibit orthorhombic space group, Pbcn (No. 60). Cell parameters have been reported as: a = 7.158(2), b = 10.510(3), c = 9.733(2)Å.
Preparation of 1,1,3,3-tetracyanopropane is reported.
Application
1,1,3,3-Propanetetracarbonitrile (1,1,3,3-Tetracyanopropane) may be used in the preparation of highly reactive vinylidene cyanide monomer (VCN), via pyrolysis at 180-250°C.
1,1,3,3-Tetracyanopropane may be used in the preparation of vinylidine cyanide.
signalword
Danger
Hazard Classifications
Acute Tox. 2 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk_germany
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
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Unexpected Alternated Radical Copolymerization of Vinylidene Cyanide with a Fluorinated Vinyl Ether for Superhydrophobic and Highly Oleophobic Films.
Meskini A, et al.
Macromolecules, 42(10), 3532-3539 (2009)
Structural and vibrational studies of 1, 1, 3, 3-tetracyanopropane and 2, 2, 4, 4, 6-pentacyanocyclohexenamine.
Bell RA, et al.
Canadian Journal of Chemistry, 65(2), 261-270 (1987)
Vinylidene Cyanide. I.
Ardis AE, et al.
Journal of the American Chemical Society, 72(3), 1305-1307 (1950)
Substituted Quinodimethanes. V. 1 p-Tricyanovinylphenyldicyanomethide and Related Anions.
Williams JK.
Journal of the American Chemical Society, 84(18), 3478-3479 (1962)
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