Butyl isocyanate Chemical Properties

Melting point:

85.5℃

Boiling point:

115 °C(lit.)

Density 

0.88 g/mL at 25 °C(lit.)

vapor density 

3 (vs air)

vapor pressure 

10.6 mm Hg ( 20 °C)

refractive index 

n20/D 1.406(lit.)

Flash point:

64 °F

storage temp. 

2-8°C

form 

Liquid

color 

Colorless

Sensitive 

Moisture Sensitive

Merck 

13,1574

BRN 

773917

Exposure limits

No exposure limit is set for this compound. On the basis of its low inhalation toxicity, a TLV-TWA value of 8 mg/m³ (2 ppm) can be safely ascribed.

InChIKey

HNHVTXYLRVGMHD-UHFFFAOYSA-N

CAS DataBase Reference

111-36-4(CAS DataBase Reference)

NIST Chemistry Reference

Butane, 1-isocyanato-(111-36-4)

EPA Substance Registry System

Butyl isocyanate (111-36-4)

Safety Information

Hazard Codes 

F,T+

Risk Statements 

11-21/22-26-34-37-42/43

Safety Statements 

23-26-28-36/37/39-45

RIDADR 

UN 2485 6.1/PG 1

WGK Germany 

1

RTECS 

NQ8250000

F 

10-19-21

TSCA 

Yes

HazardClass 

6.1(a)

PackingGroup 

I

HS Code 

29291090

Hazardous Substances Data

111-36-4(Hazardous Substances Data)

Toxicity

LC50 (4hr) in male, female rats (mg/m3): 60, 55 by inhalation (Pauluhn, Eben)

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

Butyl isocyanate Usage And Synthesis

Application

Chemical Properties

Colorless to faintly yellow liquid

Chemical Properties

Colorless, flammable liquid.

Uses

Reagent in organic synthesis.

Uses

n-Butyl isocyanate is used as an acylatingagent in the Friedel–Crafts reaction to produce amide.

Definition

ChEBI: An isocyanate having a butyl group attached to the nitrogen.

Synthesis Reference(s)

The Journal of Organic Chemistry, 28, p. 2076, 1963 DOI: 10.1021/jo01043a030

General Description

A clear, colorless liquid with a pungent odor. Flash point 68°F. 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.

Air & Water Reactions

Highly flammable. Extremely slow decomposition by water. Less dense than water and insoluble in water.

Reactivity Profile

Isocyanates and thioisocyanates are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence [Wischmeyer 1969].

Hazard

Strong irritant to eyes and skin.

Health Hazard

n-Butyl isocyanate exhibits low inhalationtoxicity and relatively higher oral toxicity.This is in contrast to the aromatic isocyanates. The toxic effects are nausea, dyspnea, insomnia, coughing, and chest pain.Such symptoms, however, are much lessmarked than those of methyl isocyanate.
LC50 value, inhalation (mice): 680 mg/m³
LD50 value, oral (mice): 150 mg/kg
There is no report of any carcinogenic orteratogenic study of this compound.

Health Hazard

TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. Bromoacetates and chloroacetates are extremely irritating/lachrymators. Reaction with water or moist air will release toxic, corrosive or flammable gases. Reaction with water may generate much heat that will increase the concentration of fumes in the air. Fire will produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.

Fire Hazard

HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapors may travel to source of ignition and flash back. Substance will react with water (some violently) releasing flammable, toxic or corrosive gases and runoff. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated or if contaminated with water.

Flammability and Explosibility

Highly flammable

Safety Profile

A poison by ingestion and intravenous routes. Mddly toxic by inhalation. A powerful irritant to eyes, skin, and mucous membranes. A flammable liquid. See also CYANATES and NITROGEN MONOXIDE.

Potential Exposure

N-Butyl isocyanate is used as a reagent in organic synthesis; used as intermediates in production of pharmaceuticals, carbamate and urea insecticides, and fungicides. It is also used in the production of sulfonylurea antidiabetic drugs

Shipping

UN2485 n-Butyl isocyanate, Hazard Class: 6.1; Labels: 6.1—Poison Inhalation Hazard, 3—Flammable liquid. Hazard, Inhalation Hazard Zone B. PGI.

Incompatibilities

Vapor may form explosive mixture with air. Isocyanates are highly flammable and reactive with many compounds, even with themselves. Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Reaction with moist air, water or alcohols may form amines and insoluble polyureas and react exothermically, releasing toxic, corrosive or flammable gases, including carbon dioxide; and, at the same time, may generate a violent release of heat increasing the concentration of fumes in the air. Incompatible with amines, aldehydes, alkali metals, ammonia, carboxylic acids, caprolactum, alkaline materials, glycols, ketones, mercaptans, hydrides, organotin catalysts, phenols, strong acids, strong bases, strong reducing agents such as hydrides, urethanes, ureas. Elevated temperatures or contact with acids, bases, tertiary amines, and acylchlorides may cause explosive polymerization. Contact with metals may evolve flammable hydrogen gas. Attacks some plastics, rubber and coatings. May accumulate static electrical charges, and may cause ignition of its vapors

Waste Disposal

Dispose of contents and container to an approved waste disposal plant. Use a licensed professional waste disposal service to dispose of this material. Caution: this chemical is highly flammable with a low flash point (,20C). Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.

Butyl isocyanate(111-36-4)Related Product Information

• ISONONYL ISONONANOATE
• ISOCYANIC ACID
• BENZENESULFONYL ISOCYANATE
• Cyclopentyl isocyanate
• Pentyl isocyanate
• Octadecyl isocyanate
• Isocyanatocyclohexane
• Hexyl isocyanate
• Isopropyl isocyanate
• m-Tolyl isocyanate
• Ethyl isocyanate
• CYCLOOCTYL ISOCYANATE 97
• Ethyl Isocyanatoacetate
• ALLYL ISOCYANATE
• Propyl isocyanate
• TERT-BUTYL ISOCYANIDE
• trans-4-Methycyclohexyl isocyanate
• Methyl isothiocyanate