111-36-4
Product Name:
Butyl isocyanate
Formula:
C5H9NO
Synonyms:
n-Butyl isocyanate;1-Isocyanatobutane;BIC;Isocyanic acid butyl ester
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | N-butyl isocyanate appears as a clear, colorless liquid with a pungent odor. Very toxic by ingestion, and may also be toxic by skin absorption and inhalation. Vapors heavier than air. Less dense than water and insoluble in water. Produces toxic oxides of nitrogen during combustion. |
|---|---|
| Color/Form | Colorless liquid |
| Boiling Point | 115 °C |
| Melting Point | -75 °C |
| Flash Point | 66 °F (NFPA, 2010) |
| Solubility | SLIGHTLY SOL IN WATER |
| Density | 0.880 g/cu cm at 20 °C |
| Vapor Density | 3.00 (Air= 1) |
| Vapor Pressure | 17.6 [mmHg] |
| Autoignition Temperature | 425 °C |
| Decomposition | Energy of decomposition (in range 160 to 450 °C) measured as 0.55 kJ/g. |
| Surface Tension | 4.9729X10-2 N/m at 193 K |
| Refractive Index | Index of refraction at 20 °C/D = 1.4060 |
| Other Experimental Properties | Flammable liquid |
| Chemical Classes | Toxic Gases & Vapors -> Monoisocyanates |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H225:Flammable liquids H302:Acute toxicity,oral H314:Skin corrosion/irritation H317:Sensitisation, Skin H330:Acute toxicity,inhalation H334:Sensitisation, respiratory H412:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 99.13 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| 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 | 74.1 |
| 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
N-butyl isocyanate appears as a clear, colorless liquid with a pungent odor. Very toxic by ingestion, and may also be toxic by skin absorption and inhalation. Vapors heavier than air. Less dense than water and insoluble in water. Produces toxic oxides of nitrogen during combustion.