Butyl isocyanate
ALDRICH/B95736 - 98%
Synonym: 1-Isocyanatobutane; n-Butyl isocyanate; BIC
CAS Number: 111-36-4
Empirical Formula (Hill Notation): C5H9NO
Molecular Weight: 99.13
EC Number: 203-862-8
MDL Number: MFCD00002046
Linear Formula: CH3(CH2)3NCO
Product Type: Chemical
| assay | 98% |
| bp | 115 °C (lit.) |
| density | 0.88 g/mL at 25 °C (lit.) |
| form | liquid |
| InChI | 1S/C5H9NO/c1-2-3-4-6-5-7/ |
| InChI key | HNHVTXYLRVGMHD-UHFFFAOYSA |
| Quality Level | 100 ![]() |
| refractive index | n |
| SMILES string | CCCCN=C=O |
| vapor density | 3 (vs air) |
| vapor pressure | 10.6 mmHg ( 20 °C) |
| Application: | Butyl isocyanate can undergo anionic polymerization to form poly(butyl isocyanate) using lanthanum isopropoxide as the initiator. |
| General description: | Butyl isocyanate is a metabolite of benomyl, a broad spectrum fungicide. |
| Packaging: | 5, 25 mL in glass bottle |
| Symbol | ![]() ![]() ![]() GHS02,GHS05,GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H225 - H302 - H314 - H317 - H330 - H334 - H412 |
| Precautionary statements | P210 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 |
| Hazard Codes | F,T+ |
| Risk Statements | 11-21/22-26-34-37-42/43 |
| Safety Statements | 23-26-28-36/37/39-45 |
| RIDADR | UN 2485 3(6.1) / PGI |
| WGK Germany | WGK 1 |
| Flash Point(F) | 51.8 °F - closed cup |
| Flash Point(C) | 11 °C - closed cup |
| Purity | 98% |
| bp | 115 °C (lit.) |
| Density | 0.88 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |





