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109-90-0

109-90-0 structural image
Product Name: Ethyl isocyanate
Formula: C3H5NO
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Ethyl isocyanate appears as a colorless liquid. Less dense than water and insoluble in water. May irritate skin, eyes, and mucous membranes. May be lethal by Inhalation. Used to make pharmaceuticals and pesticides.
Color/Form Liquid
Odor Pungent smelling
Boiling Point 60 °C
Solubility Miscible in ethanol, ether
Density 0.9031g/cu cm
Vapor Density 2.45 (Air = 1)
Vapor Pressure 17.5 [mmHg]
Optical Rotation Specific optical rotation = 1.3808 at 20 °C/D
Decomposition When heated to decomposition it emits toxic fumes of /nitrogen oxides/.
Heat of Combustion 424.5 kcal (liquid)
Refractive Index Index of refraction: 1.3808 at 20 °C/D
Chemical Classes Toxic Gases & Vapors -> Monoisocyanates

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H225:Flammable liquids
H301:Acute toxicity,oral
H315:Skin corrosion/irritation
H317:Sensitisation, Skin
H319:Serious eye damage/eye irritation
H334:Sensitisation, respiratory
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
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 71.08 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 71.037113783 g/mol
Monoisotopic Mass 71.037113783 g/mol
Topological Polar Surface Area 29.4 Ų
Heavy Atom Count 5
Formal Charge 0
Complexity 53.9
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

Ethyl isocyanate appears as a colorless liquid. Less dense than water and insoluble in water. May irritate skin, eyes, and mucous membranes. May be lethal by Inhalation. Used to make pharmaceuticals and pesticides.

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