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
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 | ![]() ![]() ![]() ![]() |
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 |
We are currently working diligently to update our website pricing information for the New Year. If you place an order, you will be acknowledged with any corrected pricing. If you'd like the most current information sooner, please don't hesitate to drop us an email or give us a call and we'd be happy to assist. Thank you for your patience while we are updating.
800-334-7725
office@krackeler.com
Please fill out the form below if you want to request order support from Krackeler Scientific.
You will be contacted with a quote.