Tert-Butyl Isocyanate (C5H9NO)

Looking for routes to Tert-Butyl Isocyanate? Tert-Butyl Isocyanate presents a C5 framework. Use the planner with prefilled SMILES, or copy CC(C)(C)N=C=O (CAS 1609-86-5).

Target: Tert-Butyl Isocyanate
CAS: 1609-86-5
Formula: C5H9NO
Approx. MW: 99.13
SMILES: CC(C)(C)N=C=O
PubChem CID: 62412
Approx. carbons: C5

Tert-Butyl Isocyanate structure

Properties

IUPAC name: 2-isocyanato-2-methylpropane
Common names: TERT-BUTYL ISOCYANATE; 1609-86-5; 2-Isocyanato-2-methylpropane; Propane, 2-isocyanato-2-methyl-; t-butylisocyanate; 1,1-Dimethylethyl isocyanate; Isocyanic acid, tert-butyl ester; 2RHQ1BS36D; DTXSID6061818; RefChem:894669
Molecular weight: 99.13
Exact mass: 99.07
InChIKey: MGOLNIXAPIAKFM-UHFFFAOYSA-N
Density: 0.8670 @ 7°C

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Tert-Butyl Isocyanate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Tert-Butyl Isocyanate?

Tert-Butyl Isocyanate has molecular formula C5H9NO. Molecular weight about 99.13 g·mol⁻¹.

What is the CAS number of Tert-Butyl Isocyanate?

The CAS Registry Number for Tert-Butyl Isocyanate is 1609-86-5.

Run AI retrosynthesis for Tert-Butyl Isocyanate Target catalog AI tools overview

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Related targets

Similar compounds

1-Methyl-2-Pyrrolidinone 3-Ethoxypropanenitrile 4,4-dimethyloxazoline Dimethylamid kyseliny akrylove N-Methyl-N-vinylacetamide

Browse the full target catalog

References & tools

ChemicalHelper Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.