1,3-Bis(isocyanatomethyl)cyclohexane
ALDRICH/405949 - mixture of cis and trans, 99%
Synonym: 1,3-
CAS Number: 38661-72-2
Empirical Formula (Hill Notation): C10H14N2O2
Molecular Weight: 194.23
MDL Number: MFCD00129947
Linear Formula: C6H10(CH2NCO)2
Product Type: Chemical
| assay | 99% |
| density | 1.101 g/mL at 25 °C (lit.) |
| form | liquid |
| InChI | 1S/C10H14N2O2/c13-7-11-5- |
| InChI key | XSCLFFBWRKTMTE-UHFFFAOYSA |
| Quality Level | 200 ![]() |
| refractive index | n |
| SMILES string | O=C=NCC1CCCC(CN=C=O)C1 |
| vapor pressure | 0.4 mmHg ( 98 °C) |
| Application: | 1,3-Bis(isocyanatomethyl) • 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) |
| Packaging: | 500 mL in glass bottle |
| Symbol | ![]() ![]() GHS05,GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H302 - H314 - H317 - H330 - H334 - H413 |
| Precautionary statements | P273 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 |
| Hazard Codes | Xn |
| Risk Statements | 20/21/22-36/37/38 |
| Safety Statements | 23-26-36/37/39-45 |
| RIDADR | UN 2206PSN1B 6.1 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 235.4 °F - closed cup |
| Flash Point(C) | 113 °C - closed cup |
| Purity | 99% |
| Density | 1.101 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12162002 |




