CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Isobutyl isocyanate appears as a colorless liquid. Less dense than water. Contact may severely irritate skin, eyes and mucous membranes. May be very toxic by ingestion, inhalation and skin absorption. Used to make pesticides and pharmaceuticals. |
|---|---|
| Chemical Classes | Toxic Gases & Vapors -> Monoisocyanates |
COMPUTED DESCRIPTORS
| Molecular Weight | 99.13 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 99.068413911 g/mol |
| Monoisotopic Mass | 99.068413911 g/mol |
| Topological Polar Surface Area | 29.4 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 82.1 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Isobutyl isocyanate appears as a colorless liquid. Less dense than water. Contact may severely irritate skin, eyes and mucous membranes. May be very toxic by ingestion, inhalation and skin absorption. Used to make pesticides and pharmaceuticals.