tert-Butyl isocyanate
ALDRICH/144452 - 97%
Synonym: 2-
CAS Number: 1609-86-5
Empirical Formula (Hill Notation): C5H9NO
Molecular Weight: 99.13
EC Number: 216-544-9
MDL Number: MFCD00002035
Linear Formula: (CH3)3CN=C=O
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 144452-100G.
| assay | 97% |
| bp | 85-86 °C (lit.) |
| density | 0.868 g/mL at 25 °C (lit.) |
| form | liquid |
| functional group | amine |
| isocyanate | |
| InChI | 1S/C5H9NO/c1-5(2,3)6-4-7/ |
| InChI key | MGOLNIXAPIAKFM-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | CC(C)(C)N=C=O |
| Application: | tert-Butyl isocyanate can be used: • In the preparation of isocyanate-treated graphite oxides (iGOs) which can be exfoliated in polar aprotic solvents to obtain graphene oxide nanoplatelets. • To modify metal-organic frameworks, postsynthetically, to obtain microporous urea-functionalized frameworks. • To the synthesis of terminal hydroxide containing dinuclear alumoxane from aluminum dihydride. |
| General description: | tert-Butyl isocyanate undergoes [2+2] cycloaddition reaction with phosphagermaallene to yield 1-oxa-2-germacyclobutane. It also undergoes cycladdition reaction with molybdenum dioxo bis(aryloxide) complex to form novel 16-electron molybdenum oxo-imido bis(aryloxide) complex. It reacts with aluminum dihydride in the presence of trace amounts of water to yield terminal hydroxide containing dinuclear alumoxane. |
| Packaging: | 5, 25, 100 g in glass bottle |
| Symbol |     GHS02,GHS05,GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H225 - H302 - H314 - H317 - H330 - H334 - H335 |
| Precautionary statements | P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 |
| Hazard Codes | F,T+ |
| Risk Statements | 11-14-22-26-34-37-42 |
| Safety Statements | 16-26-36/37/39-45 |
| RIDADR | UN 2484 3(6.1) / PGI |
| WGK Germany | WGK 1 |
| Flash Point(F) | 24.8 °F - closed cup |
| Flash Point(C) | -4 °C - closed cup |
| Supplemental Hazard Statements | EUH014 |
| Purity | 97% |
| bp | 85-86 °C (lit.) |
| Density | 0.868 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |