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ChemicalBook > CAS DataBase List > Butyl isocyanate

Butyl isocyanate

Application
Product Name
Butyl isocyanate
CAS No.
111-36-4
Chemical Name
Butyl isocyanate
Synonyms
BIC;n-bic;n-C4H9NCO;Butylisocyanat;Butyl isocyate;BUTYL ISOCYANATE;ISOCYANATOBUTANE;n-butyl isocynate;1-butyl isocynate;AKOS BBS-00004256
CBNumber
CB8153607
Molecular Formula
C5H9NO
Formula Weight
99.13
MOL File
111-36-4.mol
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Butyl isocyanate Property

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)
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Safety

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
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)
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H225Highly Flammable liquid and vapour

H302Harmful if swallowed

H311Toxic in contact with skin

H314Causes severe skin burns and eye damage

H318Causes serious eye damage

H330Fatal if inhaled

H334May cause allergy or asthma symptoms or breathing difficulties if inhaled

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P284Wear respiratory protection.

P310Immediately call a POISON CENTER or doctor/physician.

P320Specific treatment is urgent (see … on this label).

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
B95736
Product name
Butyl isocyanate
Purity
98%
Packaging
5ml
Price
$30.3
Updated
2021/12/16
Sigma-Aldrich
Product number
B95736
Product name
Butyl isocyanate
Purity
98%
Packaging
25ml
Price
$83.1
Updated
2021/12/16
Alfa Aesar
Product number
L05664
Product name
1-Butyl isocyanate
Purity
97%
Packaging
25g
Price
$58.7
Updated
2021/12/16
TRC
Product number
B693315
Product name
ButylIsocyanate
Packaging
50g
Price
$120
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
CHM0028745
Product name
BUTYL ISOCYANATE
Purity
95.00%
Packaging
0.5G
Price
$638
Updated
2021/12/16
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Butyl isocyanate Chemical Properties,Usage,Production

Application

Butyl isocyanate is the important raw material or intermediate that has widely applied  in the synthesis of pharmaceutical, pesticide and dyestuff products, such as benzimidazole fungicides, sulfonylurea herbicides, and benomyl.
Butyl isocyanate is typical catalyst for the synthesis of the sulfonylurea herbicides, such as chlorsulfuron, sulfometuron, metsulfuron-methyl, and chlorimuron-ethyl, by treating the different groups substituted sulfonamide with phosgene in the presence of butyl isocyanate. Moreover, butyl isocyanate is also an intermedia for the synthesis of sulfonylurea.A number of novel sulfonylurea derivatives with sugar lowering activity, such as glibenclamide, tolbutamide, chlorpropamide and other hypoglycemic sulfonylurea agents also could be synthesized by using butyl isocyanate as synthetic intermediate.

Chemical Properties

Colorless to faintly yellow liquid

Chemical Properties

Colorless, flammable liquid.

Uses

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

Uses

Reagent in organic synthesis.

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.

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.

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Butyl isocyanate Suppliers

Suzhou Tianma Specialty Chemicals Co.,Ltd.
Tel
+86-512-66319723
Fax
+86-512-68090175
Email
marketing@tianmachem.com
Country
China
ProdList
110
Advantage
67
J & K SCIENTIFIC LTD.
Tel
010-82848833- ;010-82848833
Fax
86-10-82849933
Email
jkinfo@jkchemical.com;market6@jkchemical.com
Country
China
ProdList
96815
Advantage
76
Meryer (Shanghai) Chemical Technology Co., Ltd.
Tel
+86-021-61259100
Fax
86-21-61259102
Email
int02@meryer.com
Country
China
ProdList
40264
Advantage
62
TCI (Shanghai) Development Co., Ltd.
Tel
021-67121386 / 800-988-0390
Fax
021-67121385
Email
Sales-CN@TCIchemicals.com
Country
China
ProdList
24555
Advantage
81
Beijing dtftchem Technology Co., Ltd.
Tel
010-60275820
Fax
010-60270825
Email
elainezt@sina.com
Country
China
ProdList
1401
Advantage
62
Energy Chemical
Tel
021-58432009
Fax
021-58436166
Email
sales8178@energy-chemical.com
Country
China
ProdList
43432
Advantage
61
Beijing Ouhe Technology Co., Ltd
Tel
010-82967028
Fax
+86-10-82967029
Email
2355560935@qq.com
Country
China
ProdList
12270
Advantage
60
JinYan Chemicals(ShangHai) Co.,Ltd.
Tel
13817811078;021-50426030
Fax
86-021-50426522,50426273
Email
sales@jingyan-chemical.com
Country
China
ProdList
10006
Advantage
60
Adamas Reagent, Ltd.
Tel
400-600-9262
Email
bxy@titansci.com
Country
China
ProdList
13915
Advantage
59
Shanghai Hanhong Scientific Co.,Ltd.
Tel
;021-54306202- ;
Fax
13764082696
Email
jerry.ma@hanhonggroup.com;jerry.ma@hanhonggroup.com;jerry.ma@hanhonggroup.com
Country
China
ProdList
43059
Advantage
64
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View Lastest Price from Butyl isocyanate manufacturers

Zhuozhou Wenxi import and Export Co., Ltd
Product
Butyl isocyanate 111-36-4
Price
US $15.00-10.00/KG
Min. Order
1KG
Purity
99%+ HPLC
Supply Ability
Monthly supply of 1 ton
Release date
2021-07-11
Zhuozhou Wenxi import and Export Co., Ltd
Product
Butyl isocyanate 111-36-4
Price
US $15.00-10.00/KG
Min. Order
1KG
Purity
99%+ HPLC
Supply Ability
Monthly supply of 1 ton
Release date
2021-07-09
Zhuozhou Wenxi import and Export Co., Ltd
Product
Butyl isocyanate 111-36-4
Price
US $15.00-10.00/KG
Min. Order
1KG
Purity
99%+ HPLC
Supply Ability
Monthly supply of 1 ton
Release date
2021-06-27

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