1,3-Cyclohexanebis(methylamine) Chemical Properties

Melting point:

-70 °C

Boiling point:

220 °C

Density 

0.945 g/mL at 25 °C(lit.)

vapor pressure 

34Pa at 25℃

refractive index 

n20/D 1.493(lit.)

Flash point:

223 °F

storage temp. 

Keep in dark place,Inert atmosphere,Room temperature

form 

Liquid

pka

10.57±0.29(Predicted)

color 

Clear colorless

Water Solubility 

Soluble

InChI

InChI=1S/C8H18N2/c9-5-7-2-1-3-8(4-7)6-10/h7-8H,1-6,9-10H2

InChIKey

QLBRROYTTDFLDX-UHFFFAOYSA-N

SMILES

C1(CN)CCCC(CN)C1

LogP

0.783 at 21.5℃

CAS DataBase Reference

2579-20-6(CAS DataBase Reference)

EPA Substance Registry System

1,3-Cyclohexanedimethanamine (2579-20-6)

Safety Information

Hazard Codes 

C

Risk Statements 

20/21/22-34-22-52/53-35-21/22

Safety Statements 

26-27-28-36/37/39-45-25-61

RIDADR 

UN 2735 8/PG 2

WGK Germany 

3

RTECS 

GU7000000

HazardClass 

8

PackingGroup 

I

HS Code 

29213000

Toxicity

LD50 orl-rat: 880 mg/kg HURC** -,-,73

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS

1,3-Cyclohexanebis(methylamine) Usage And Synthesis

Chemical Properties

CLEAR COLORLESS LIQUID

Uses

1,3-cyclohexanebis(methylamine) be used as organic intermediates and epoxy curing agents.

Uses

1,3-Cyclohexanebis(methylamine), mixture of isomers (1,3-BAC), is used as a cross-linking agent that can be used in the formation of fiber-based membranes for the separation of CO₂. It can also be used in the synthesis of open-framework bimetallic phosphites for potential usage in molecular sieves and ion exchangers.

General Description

This product has been enhanced for energy efficiency.

Safety Profile

Poison by skin contact andintraperitoneal routes. Moderately toxic by ingestion.When heated to decomposition it emits toxic fumes ofNOx.

Synthesis

The general procedure for the synthesis of 1,3-cyclohexanedimethylamine from 1,3-benzenedimethanamine is as follows: all hydrogenation reactions were carried out in a 100 mL Parr reactor equipped with a magnetically driven stirrer and an electric heater. First, 1,3-benzenedimethylamine, solvent, suitable catalyst and promoter were added to the reactor as required. Subsequently, the reactor was purged using N2 and then H2 and pressurized to about 2 MPa. Under stirring conditions, the reactor was heated to a set reaction temperature while H2 was replenished from the storage tank to maintain a constant pressure. During the reaction, the pressure change in the storage tank was monitored by a pressure sensor and a recorder to observe the reaction process. The reaction was considered complete when the consumption of H2 stopped. At the end of the reaction, the reactor was cooled to room temperature and the reaction mixture was collected. After removal of catalyst by filtration, the product mixture was analyzed by gas chromatography (GC) and gas chromatography-mass spectrometry (GC-MS). Catalyst characterization was performed using Shimadzu XRD-6000.

References

[1] Bulletin of the Korean Chemical Society, 2014, vol. 35, # 4, p. 1117 - 1120
[2] Patent: CN108203386, 2018, A. Location in patent: Paragraph 0018-0026
[3] Journal of medicinal chemistry, 1965, vol. 8, p. 401 - 404
[4] Patent: CN107868007, 2018, A. Location in patent: Page/Page column 4; 5

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