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tert-Butylisocyanate

tert-Butylisocyanate Structure
tert-Butylisocyanate structure
CAS No.
1609-86-5
Chemical Name:
tert-Butylisocyanate
Synonyms
2-isocyanato-2-methylpropane;TERT-BUTYL ISOCYANATE;T-BUTYL ISOCYANATE;TERT-BUTYL ISOCYANATE, STAB.;1,1-Dimethylethyl isocyanate;ISOCYANIC ACID TERT-BUTYL ESTER;t-C4H9NCO;Tertbuty Isocyanate;Tert-Butyl Isocyanat;left-Butyl isocyanate
CBNumber:
CB7729470
Molecular Formula:
C5H9NO
Molecular Weight:
99.13
MDL Number:
MFCD00002035
MOL File:
1609-86-5.mol
MSDS File:
SDS
Last updated:2026-05-28 03:04:10
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tert-Butylisocyanate Properties

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)
FDA UNII 2RHQ1BS36D
NIST Chemistry Reference Propane, 2-isocyanato-2-methyl-(1609-86-5)
EPA Substance Registry System tert-Butyl isocyanate (1609-86-5)

SAFETY

Risk and Safety Statements

Symbol(GHS)  Flame (GHS02)Corrosion (GHS05)Skull and Crossbones (GHS06)
GHS02,GHS05,GHS06
Signal word  Danger
Hazard statements  H225-H301-H314-H317-H330-H335
Precautionary statements  P210-P233-P240-P241-P242-P243-P280-P264-P270-P260-P261-P272-P271-P284-P303+P361+P353-P370+P378-P301+P310-P330-P301+P330+P331-P363-P304+P340-P310-P305+P351+P338-P302+P352-P333+P313-P362+P364-P312-P403+P235-P405-P403+P233-P501
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
WGK Germany  3
F  10-21
TSCA  TSCA listed
HazardClass  6.1
PackingGroup  I
HS Code  29291090
REACH Registrations Active
Excepted Quantities Forbidden

tert-Butylisocyanate price More Price(22)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 144452 tert-Butyl isocyanate 97% 1609-86-5 5g $38.2 2026-04-30 Buy
Sigma-Aldrich 144452 tert-Butyl isocyanate 97% 1609-86-5 25g $156 2026-04-30 Buy
Usbiological 261571 tert-Butyl isocyanate Asreported 1609-86-5 2g $216 2026-06-03 Buy
Usbiological 261571 tert-Butyl isocyanate Asreported 1609-86-5 5g $325 2026-06-03 Buy
TRC TRC-B693325-50G t-Butyl Isocyanate 1609-86-5 50g $617 2026-06-03 Buy
Product number Packaging Price Buy
144452 5g $38.2 Buy
144452 25g $156 Buy
261571 2g $216 Buy
261571 5g $325 Buy
TRC-B693325-50G 50g $617 Buy

tert-Butylisocyanate Chemical Properties,Uses,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 synthesis

4083-64-1
75-64-9
1609-86-5
Synthesis of tert-Butylisocyanate from p-Toluenesulfonyl Isocyanate and tert-Butylamine

tert-Butylisocyanate Preparation Products And Raw materials

Raw materials

Butylamine 1,2-Dichlorobenzene Sodium carbonate p-Toluenesulfonyl Isocyanate (tert-butylamino)(oxo)acetic acid

Preparation Products

EPITHIOCHLORHYDRIN PD089828 Amicarbazone N-[[(1,1-DiMethylethyl)aMino]carbonyl]-3-Methyl-L-valine Benzeneacetamide, α-amino-N-(1,1-dimethylethyl)-

tert-Butylisocyanate Suppliers

Global( 230)Suppliers
Supplier Tel Email Country ProdList Advantage
Jiaxing Deyi Chemical Co., Ltd. 86-0573-85866609 18367600069 945717149@qq.com China 9507 58
Wuhan yuqing jiaheng pharmaceutical co. LTD 027-83855381 15827508403 xiaozhan0503@163.com China 977 58
Wuhan Wenjin Chemical Technology Co., Ltd. 13517196568 375665891@qq.com China 500 58
Alfa Aesar 400-6106006 saleschina@alfa-asia.com China 30103 84
TCI (Shanghai) Development Co., Ltd. 021-67121386 Sales-CN@TCIchemicals.com China 24512 81
Energy Chemical 400-0056266 sales8178@energy-chemical.com China 44850 61
Shanghai Hanhong Scientific Co.,Ltd. 021-54306202 13764082696 info@hanhongsci.com China 42917 64
Shandong Xiya Chemical Co., Ltd 13355009207 13355009207 3007715519@qq.com China 18722 57
Suzhou Tianma Specialty Chemicals Co.,Ltd. +86-512-66319723 China 110 67
Syntechem Co.,Ltd info@syntechem.com China 12973 57
Supplier Advantage
Jiaxing Deyi Chemical Co., Ltd. 58
Wuhan yuqing jiaheng pharmaceutical co. LTD 58
Wuhan Wenjin Chemical Technology Co., Ltd. 58
Alfa Aesar 84
TCI (Shanghai) Development Co., Ltd. 81
Energy Chemical 61
Shanghai Hanhong Scientific Co.,Ltd. 64
Shandong Xiya Chemical Co., Ltd 57
Suzhou Tianma Specialty Chemicals Co.,Ltd. 67
Syntechem Co.,Ltd 57

View Lastest Price from tert-Butylisocyanate manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
Tert-Butyl Isocyanate pictures 2026-05-28 Tert-Butyl Isocyanate
1609-86-5
 $2.00-5.00 1KG 99% 10000kg Hebei Chuanghai Biotechnology Co,.LTD
tert-Butylisocyanate pictures 2023-11-13 tert-Butylisocyanate
1609-86-5
 $25.00-35.00 1kg 99% 20 Ton Hebei Xinsheng New Material Technology Co., LTD.
Tert-Butyl Isocyanate pictures 2023-08-31 Tert-Butyl Isocyanate
1609-86-5
 $100.00 1drum 99 5000 Hebei Fengqiang Trading Co., LTD

tert-Butylisocyanate Spectrum

tert-Butylisocyanate(1609-86-5)MStert-Butylisocyanate(1609-86-5)1HNMRtert-Butylisocyanate(1609-86-5)13CNMRtert-Butylisocyanate(1609-86-5)IR1tert-Butylisocyanate(1609-86-5)Ramantert-Butylisocyanate(1609-86-5)ESR

1609-86-5(tert-Butylisocyanate)Related Search:

4-Chlorophenyl isocyanate 1,3-Bis(isocyanatomethyl)benzene ISOCYANIC ACID Butyl isocyanate tert-Butyl peroxyacetate
METHYLIDYNETRI-P-PHENYLENE TRIISOCYANATE Chlorosulfonyl isocyanate CARBONIC ACID TERT-BUTYL PHTHALIMIDO ESTER TERT-BUTYL ISOTHIOCYANATE tert-Butanesulfinamide
tert-Butanol Phenyl isocyanate 3-ISOPROPENYL-ALPHA,ALPHA-DIMETHYLBENZYL ISOCYANATE TERT-OCTYL ISOCYANATE 1,3-BIS(2-ISOCYANATO-2-PROPYL)BENZENE
1-ADAMANTYL ISOCYANATE TERT-BUTYL ISOCYANIDE 4-Thien-2-yltetrahydro-2H-pyran-4-yl isocyanate

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TERT-BUTYL ISOCYANATE, STAB. Isocyanatobutanegem.DWCP TERT-BUTYL ISOCYANATE 98% PROPANE,2-ISOCYANATO-2-METHYL 2-isocyanato-2-methyl-propan butylisocyanate(non-specificname) t-C4H9NCO ISOCYANIC ACID TERT-BUTYL ESTER left-Butyl isocyanate T-BUTYL ISOCYANATE socyanic acid, tert-butyl ester tert-Butyl isocyanate,97% Tertbuty Isocyanate tert-Butyl Isocyanate 1,1-Dimethylethyl isocyanate 1,1-dimethylethylisocyanate tert-ButylIsocyanate> 5-butyl-5-ethyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinan tert-Butyl isocyanate 98.5% Tert-Butyl Isocyanat 2-isocyanato-2-methylpropane TERT-BUTYL ISOCYANATE 1609-86-5 CH33CNCO CCH33NCO ISOCYANATE Building Blocks Organic Building Blocks Nitrogen Compounds Isocyanates Organic Building Blocks Isocyanates Nitrogen Compounds