1,3,6-HEXANETRICARBONITRILE Chemical Properties

Boiling point:

255-260 °C2 mm Hg(lit.)

Density 

1.04 g/mL at 25 °C(lit.)

vapor pressure 

2Pa at 25℃

refractive index 

n20/D 1.466(lit.)

Flash point:

185 °F

form 

clear liquid

color 

Light yellow to Yellow to Orange

Water Solubility 

16.85g/L at 20℃

InChI

InChI=1S/C9H11N3/c10-6-2-1-4-9(8-12)5-3-7-11/h9H,1-5H2

InChIKey

LNLFLMCWDHZINJ-UHFFFAOYSA-N

SMILES

C(C#N)CC(C#N)CCCC#N

LogP

-0.34 at 30℃

EPA Substance Registry System

1,3,6-Hexanetricarbonitrile (1772-25-4)

Safety Information

Hazard Codes 

Xn

Risk Statements 

20/22

Safety Statements 

23-36

RIDADR 

3276

WGK Germany 

3

HazardClass 

6.1

PackingGroup 

III

HS Code 

29269090

Hazardous Substances Data

1772-25-4(Hazardous Substances Data)

MSDS

• Language:English Provider:SigmaAldrich

1,3,6-HEXANETRICARBONITRILE Usage And Synthesis

Uses

1,3,6-Hexanetricarbonitrile is mainly used as an intermediate in organic synthesis, as a high boiling point solvent and as an additive to electrolytes.

Flammability and Explosibility

Not classified

Synthesis

Preparation of 1,3,6-hexanetricarbonitrile: To a solution of 1,6-dicyano-2-butylene (1,6-dicyano-2-butylene) ) And HCI methyl alcohol solution were reacted at 40-60 ° C for 4-6h, NaCN was added and the reaction was carried out at 40-101 ° C to obtain 1,3,6-hexanetricarbonitrile.

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