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tert-Butylisocyanate

Product Name
tert-Butylisocyanate
CAS No.
1609-86-5
Chemical Name
tert-Butylisocyanate
Synonyms
2-isocyanato-2-methylpropane;T-BUTYL ISOCYANATE;TERT-BUTYL ISOCYANATE;TERT-BUTYL ISOCYANATE, STAB.;1,1-Dimethylethyl isocyanate;ISOCYANIC ACID TERT-BUTYL ESTER;t-C4H9NCO;Tertbuty Isocyanate;left-Butyl isocyanate;tert-ButylIsocyanate>
CBNumber
CB7729470
Molecular Formula
C5H9NO
Formula Weight
99.13
MOL File
1609-86-5.mol
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tert-Butylisocyanate Property

Melting point:
85.5°C
Boiling point:
85-86 °C(lit.)
Density 
0.868 g/mL at 25 °C(lit.)
vapor pressure 
79hPa at 20℃
refractive index 
n20/D 1.386(lit.)
Flash point:
24 °F
storage temp. 
2-8°C
solubility 
Chloroform (Soluble), DMSO (Slightly)
form 
Liquid
color 
Clear colorless
Water Solubility 
1000g/L at 25℃
Sensitive 
Moisture Sensitive
BRN 
969479
Stability:
Hygroscopic, Moisture Sensitive
LogP
0.4
CAS DataBase Reference
1609-86-5(CAS DataBase Reference)
NIST Chemistry Reference
Propane, 2-isocyanato-2-methyl-(1609-86-5)
EPA Substance Registry System
tert-Butyl isocyanate (1609-86-5)
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Safety

Hazard Codes 
F,T+,T
Risk Statements 
11-14-22-26-34-37-42-36/37/38-23/24/25-10
Safety Statements 
16-26-36/37/39-45-43-30-7/9
RIDADR 
UN 2484 6.1/PG 1
WGK Germany 
3
10-21
TSCA 
Yes
HazardClass 
6.1
PackingGroup 
I
HS Code 
29291090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H225Highly Flammable liquid and vapour

H302Harmful if swallowed

H314Causes severe skin burns and eye damage

H317May cause an allergic skin reaction

H330Fatal if inhaled

H334May cause allergy or asthma symptoms or breathing difficulties if inhaled

H335May cause respiratory irritation

Precautionary statements

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

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

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

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

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

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
144452
Product name
tert-Butyl isocyanate
Purity
97%
Packaging
5g
Price
$34.8
Updated
2024/03/01
Sigma-Aldrich
Product number
144452
Product name
tert-Butyl isocyanate
Purity
97%
Packaging
25g
Price
$103
Updated
2024/03/01
Sigma-Aldrich
Product number
144452
Product name
tert-Butyl isocyanate
Purity
97%
Packaging
100g
Price
$342
Updated
2024/03/01
Usbiological
Product number
261571
Product name
tert-Butyl isocyanate
Packaging
2g
Price
$216
Updated
2021/12/16
TRC
Product number
B693325
Product name
t-ButylIsocyanate
Packaging
25g
Price
$275
Updated
2021/12/16
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tert-Butylisocyanate Chemical Properties,Usage,Production

Chemical Properties

Clear colorless liquid

Chemical Properties

A clear, colorless, flammable liquid. Pungent odor.

Uses

t-Butyl Isocyanate is a useful intermediate in synthesizing SCH 503034, a potential drug in the treatment of Hepatitis C virus. The study discusses with data the drug inhibitive selectivity against the viral enzyme NS3 Protease.

General Description

A clear colorless liquid with a pungent odor. Flash point 68°F. Very toxic by ingestion, may also be toxic by skin absorption and inhalation. Vapors heavier than air. Less dense than water and insoluble in water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion.

Air & Water Reactions

Highly flammable. May react with water to produce a toxic vapor. Very slowly decomposed by water.

Reactivity Profile

tert-Butylisocyanate can react exothermically with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizing agents, hydrides, phenols, and peroxides. May undergo polymerization with acids and bases. May react with water to form tert-butylamine and 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].

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.

Potential Exposure

tert-Butyl isocyanate is used as a reagent in organic synthesis; used as intermediates in production of pharmaceuticals and other chemicals

Shipping

UN2484 tert-Butyl isocyanate, Hazard class: 6.1; Labels: 6.1—Poison Inhalation Hazard, 3—Flammable liquid. Inhalation Hazard Zone A. PGI

Purification Methods

It is LACHRYMATORY and TOXIC, and should have IR with 2251 (CN) cm-1 and no OH bands. The NMR should have one band at 1.37 ppm from TMS. Purify it by fractional distillation under reduced pressure. [Greene & Bergmark J Org Chem 36 3056 1971, Curtius J Prakt Chem 125 152 1930, Beilstein 4 IV 669.]

Incompatibilities

Highly flammable liquid and vapor; forms 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 acyl-chlorides may cause explosive polymerization. Attacks some plastics, rubber and coatings. Contact with metals may evolve flammable hydrogen gas. 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 very low flash point (23.5C). 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.

tert-Butylisocyanate Preparation Products And Raw materials

Raw materials

Preparation Products

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tert-Butylisocyanate Suppliers

Hebei mo Jin biotechnology co., ltd
Tel
15097329902
Fax
18503279000
Email
sales@hebeimojin.com
Country
China
ProdList
1953
Advantage
58
Jiaxing Deyi Chemical Co., Ltd.
Tel
0573-86-0573-85866609 13325730825
Fax
0573-85866609
Email
945717149@qq.com
Country
China
ProdList
8024
Advantage
58
Chongqing Xingcan Pharmaceutical Technology Co., Ltd.
Tel
15523000485
Email
xingcanyaoye@sina.com
Country
China
ProdList
1687
Advantage
58
Wuhan yuqing jiaheng pharmaceutical co. LTD
Tel
027-83855381 15827508403
Fax
027-83855381
Email
xiaozhan0503@163.com
Country
China
ProdList
2575
Advantage
58
Wuhan Wenjin Chemical Technology Co., Ltd.
Tel
13517196568
Email
375665891@qq.com
Country
China
ProdList
470
Advantage
58
Alfa Aesar
Tel
400-6106006
Fax
021-67582001/03/05
Email
saleschina@alfa-asia.com
Country
China
ProdList
30123
Advantage
84
TCI (Shanghai) Development Co., Ltd.
Tel
021-67121386
Fax
021-67121385
Email
Sales-CN@TCIchemicals.com
Country
China
ProdList
24529
Advantage
81
Energy Chemical
Tel
021-021-58432009 400-005-6266
Fax
021-58436166
Email
sales8178@energy-chemical.com
Country
China
ProdList
44688
Advantage
61
Beijing Ouhe Technology Co., Ltd
Tel
010-82967028 13552068683
Fax
+86-10-82967029
Email
2355560935@qq.com
Country
China
ProdList
12390
Advantage
60
Shanghai Hanhong Scientific Co.,Ltd.
Tel
021-54306202 13764082696
Email
info@hanhongsci.com
Country
China
ProdList
42958
Advantage
64
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View Lastest Price from tert-Butylisocyanate manufacturers

Hebei Chuanghai Biotechnology Co,.LTD
Product
Tert-Butyl Isocyanate 1609-86-5
Price
US $5.00-2.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10000kg
Release date
2024-08-21
Hebei Xinsheng New Material Technology Co., LTD.
Product
tert-Butylisocyanate 1609-86-5
Price
US $35.00-25.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20 Ton
Release date
2023-11-13
Hebei Fengqiang Trading Co., LTD
Product
Tert-Butyl Isocyanate 1609-86-5
Price
US $100.00/drum
Min. Order
1drum
Purity
99
Supply Ability
5000
Release date
2023-08-23

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