1772-25-4

Basic information

• Product Name: 1,3,6-HEXANETRICARBONITRILE
• Synonyms: 1,3,6-HEXANETRICARBONITRILE;hexane-1,3,6-tricarbonitrile;(+/-)-1,3,6-HEXANETRICARBONITRILE, TECH. , 80+%
• CAS NO: 1772-25-4
• Molecular Formula: C₉H₁₁N₃
• Molecular Weight: 161.2
• EINECS: 217-199-7
• Mol File: 1772-25-4.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 255-260 °C2 mm Hg(lit.)
• Flash Point: 185 °F
• Appearance: /
• Density: 1.04 g/mL at 25 °C(lit.)
• Vapor Pressure: 5.62E-08mmHg at 25°C
• Refractive Index: n20/D 1.466(lit.)
• Water Solubility: 16.85g/L at 20℃
• CAS DataBase Reference: 1,3,6-HEXANETRICARBONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,6-HEXANETRICARBONITRILE(1772-25-4)
• EPA Substance Registry System: 1,3,6-HEXANETRICARBONITRILE(1772-25-4)

Safety Data

• Hazard Codes: Xn
• Statements: 20/22
• Safety Statements: 23-36
• RIDADR: 3276
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 1772-25-4(Hazardous Substances Data)

Usage

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

Notclassified

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.

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

Upstream product

• 107-13-1 acrylonitrile 
• 99362-56-8 2,5-dicyanopentanoic acid ethyl ester 
• 2941-23-3 2-amino-1-cyanocyclopentene 
• 111-69-3 hexanedinitrile 
• 865-47-4 potassium tert-butylate 

Downstream Products

• 1572-55-0 4-aminomethyl-1,8-diamino octane 
• 1572-40-3 4-Carboxy-suberinsaeure 

Relevant articles and documents

Novel method for preparing aliphatic tricarbonitrile and aliphatic tricarbonitrile prepared by method

The invention belongs to the technical field of organic synthesis, and particularly relates to a novel method for preparing aliphatic tricarbonitrile and the aliphatic tricarbonitrile prepared by thenovel method. The novel method for preparing aliphatic tricarbonitrile in the invention comprises the following step: removing COOCbHcXd from a compound II to obtain aliphatic tricarbonitrile. The structure formula of the compound II is as described in the specification; and in the structure formula, a is an integer from 3 to 12, b is greater than or equal to 1, c is greater than or equal to 1, dis greater than or equal to 0, e is 2, and X is a heteroatom. The method is simple to operate, uses easily available raw materials, realizes environmental protection, has great implementation value and social and economic benefits, overcomes the safety problems of aliphatic trinitrile preparation under the condition of sodium in a traditional process, and is high in yield and product purity.

Process for producing aliphatic tricarbonitriles

The present invention relates to a process for producing tricarbonitriles corresponding to formula I wherein n is an integer from 2 to 11 by forming an intermediate in the presence of a strong base in a first stage from an aliphatic α-ω-dinitrile corresponding to formula II wherein n is an integer from 3 to 12, and reacting the intermediate in a second stage to form a trinitrile corresponding to formula I by the addition of acrylonitrile.