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Merck
CN

405949

1,3-Bis(isocyanatomethyl)cyclohexane

mixture of cis and trans, 99%

Synonym(s):

1,3-Bis(methylisocyanate)cyclohexane, Hydrogenated m -xylylene diisocyanate

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About This Item

Linear Formula:
C6H10(CH2NCO)2
CAS Number:
38661-72-2
Molecular Weight:
194.23
NACRES:
NA.23
PubChem Substance ID:
24865341
UNSPSC Code:
12162002
MDL number:
MFCD00129947

Key Documents

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Product Name

1,3-Bis(isocyanatomethyl)cyclohexane, mixture of cis and trans, 99%

InChI

1S/C10H14N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h9-10H,1-6H2

SMILES string

O=C=NCC1CCCC(CN=C=O)C1

InChI key

XSCLFFBWRKTMTE-UHFFFAOYSA-N

vapor pressure

0.4 mmHg ( 98 °C)

assay

99%

form

liquid

refractive index

n20/D 1.485 (lit.)

density

1.101 g/mL at 25 °C (lit.)

Quality Level

200

Related Categories

Application

1,3-Bis(isocyanatomethyl)cyclohexane can be used:
  • As a precursor to synthesize pressure sensitive adhesives with strong adhesive strength and rapid strain recovery. These adhesives with high optical transmittance can be used in foldable displays, medical devices, and wearable electronics.
  • As a cross linking agent to prepare gel polymer electrolyte for Li-ion batteries using UV curing.
  • To fabricate niche-mimicking polymer hydrogels to identify molecular targets for treatment of pancreatic cancer.

General description

1,3-Bis(isocyanatomethyl)cyclohexane is a highly reactive compound with two cyanate groups which allows the formation of tailored polymers with enhanced elasticity, thermal stability, and chemical resistance. It can form biodegradable hydrogels that facilitates its use in controlled drug delivery. It is also widely used as a cross linking agent to enhance the durability and stability of adhesives and coatings.

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Danger

Hazard Classifications

Acute Tox. 2 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 4 - Eye Dam. 1 - Resp. Sens. 1 - Skin Corr. 1C - Skin Sens. 1A

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCV4374
MKCS8605
MKCR0965
MKCS3256
MKCS6467

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C Simpson et al.
American journal of industrial medicine, 30(1), 48-55 (1996-07-01)
Twenty-three of 34 workers who had worked in the injection molding operation making polyurethane foam parts at an automobile parts manufacturing plant developed respiratory symptoms and/or systemic symptoms over a 2-month period following the full production use of a new
Meishan Chen et al.
Molecules (Basel, Switzerland), 24(8) (2019-04-21)
In recent years, polyureas with dynamic hindered urea bonds (HUBs), a class of promising biomedical polymers, have attracted wide attention as a result of their controlled hydrolytic properties. The effect of the chemical structures on the properties of polyureas and

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