405949

1,3-Bis(isocyanatomethyl)cyclohexane

mixture of cis and trans, 99%

• Synonym(s): 1,3-Bis(methylisocyanate)cyclohexane, Hydrogenated m -xylylene diisocyanate
• 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

Properties

• vapor pressure: 0.4 mmHg ( 98 °C)
• Quality Segment: 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

Description

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.

Safety Information

• pictograms: GHS06,GHS08,GHS05
• signalword: Danger
• hcodes: H302,H314,H317,H330,H334,H413
• pcodes: P273 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• 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