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405949

Sigma-Aldrich

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
MDL number:
MFCD00129947
UNSPSC Code:
12162002
PubChem Substance ID:
24865341
NACRES:
NA.23

vapor pressure

0.4 mmHg ( 98 °C)

Quality Level

200

Assay

99%

form

liquid

refractive index

n20/D 1.485 (lit.)

density

1.101 g/mL at 25 °C (lit.)

SMILES string

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

InChI

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

InChI key

XSCLFFBWRKTMTE-UHFFFAOYSA-N

Related Categories

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.

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.

Signal Word

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 Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

405949-VAR:
405949-100ML:
405949-500ML:
405949-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCR0965
MKCM8630
MKCM8342
MKCK4667
MKCK1175

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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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