375713

1,1,3,3-Propanetetracarbonitrile

97%

• Synonym(s): 1,1,3,3-Tetracyanopropane
• Linear Formula: (NC)₂CHCH₂CH(CN)₂
• CAS Number: 3695-98-5
• Molecular Weight: 144.13
• MDL number: MFCD00134417
• UNSPSC Code: 12352100
• PubChem Substance ID: 24863399

Properties

• 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

Description

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.

Safety Information

• pictograms: GHS06
• signalword: Danger
• hcodes: H300,H311 + H331,H315,H319,H335
• pcodes: P261 - P280 - P301 + P310 - P302 + P352 + P312 - P304 + P340 + P311 - P305 + P351 + P338
• 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