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tert-Butylisocyanate

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Name

tert-Butylisocyanate

EINECS 216-544-9
CAS No. 1609-86-5 Density 0.868
PSA 29.43000 LogP 1.12070
Solubility Reacts Melting Point <-25oC
Formula C5H9 N O Boiling Point 85 C
Molecular Weight 99.1326 Flash Point 24 ºF
Transport Information UN 2484 Appearance clear liquid
Safety S16;S26;S36/37/39;S45 Risk Codes R11;R14;R22;R26;R34;R37;R42   
Molecular Structure Molecular Structure of 1609-86-5 (tert-Butylisocyanate) Hazard Symbols
Synonyms

Isocyanicacid, tert-butyl ester (6CI,7CI,8CI);1,1-Dimethylethyl isocyanate;2-Isocyanato-2-methylpropane;t-Butylisocyanate;tert-Butyl isocyanate;Propane,2-isocyanato-2-methyl-;

Article Data 82

tert-Butylisocyanate Synthetic route

Cp*Mo[N(iPr)C(Me)N(iPr)](NtBu)

1641-69-6

[13C]Carbon monoxide

A

1241890-64-1

(η5-C5Me5)*Mo{N(iPr)C(Me)N(iPr)}(CO)2

B

1609-86-5

Tert-butyl isocyanate

Conditions
ConditionsYield
In benzene-d6 at 25℃; for 96h;A 100%
B n/a
124-38-9

carbon dioxide

165535-45-5

1-ethyl-2,2,4,4,4-pentakis(dimethylamino)-2λ5,4λ5-catenadi(phosphazene)

A

91241-12-2

Bis(dimethylamino)phosphane oxide

B

1609-86-5

Tert-butyl isocyanate

Conditions
ConditionsYield
In benzene-d6 at 60℃; under 760.051 Torr; for 12h; Schlenk technique; Sealed tube; Inert atmosphere;A 99%
B n/a

(t-C4H9NC)2NiOCNC4H9-t

119072-55-8, 7188-38-7

tert-butylisonitrile

A

19068-11-2

tetrakis(tert-n-butylisocyanide)nickel(0)

B

1609-86-5

Tert-butyl isocyanate

Conditions
ConditionsYield
In toluene react. with excess t-C4H9NCO in toluene at room temp.;;A n/a
B 98%
In toluene react. with excess t-C4H9NCO in toluene at room temp.;;A n/a
B 98%
75-44-5

phosgene

75-64-9

tert-butylamine

1609-86-5

Tert-butyl isocyanate

Conditions
ConditionsYield
In chlorobenzene at 335 - 345℃; under 0 Torr;97.9%
5336-24-3

1,3-di-tert-butylurea

A

tert-Butyl-(dichloro-phenyl-silanyl)-amine

B

1609-86-5

Tert-butyl isocyanate

Conditions
ConditionsYield
With Phenyltrichlorosilane at 130 - 170℃; for 3.5h;A n/a
B 96.4%

tert-butylaminoformyl chloride

1609-86-5

Tert-butyl isocyanate

Conditions
ConditionsYield
With pyridine; N-Methylpyrrole; toluene-4-sulfonic acid; triethylamine; citric acid In chlorobenzene at 110℃; for 13h; Solvent; Temperature;94%

(chloro)2(η5-C5Me5)(tert-butylimido)tantalum

124-38-9

carbon dioxide

A

{Cp*3Ta3(μ2-O)3(μ3-O)(μ-Cl)Cl3}

B

1609-86-5

Tert-butyl isocyanate

Conditions
ConditionsYield
In benzene-d6 a soln. of Ta-complex in C6D6 was heated at 140 ° C under CO2 for 12 h; (1)H NMR monitoring; not isolated, yields given by NMR;A 78%
B 92%
169772-25-2

2-(tert-butylamino)-2-oxoacetic acid

1609-86-5

Tert-butyl isocyanate

Conditions
ConditionsYield
With ammonium peroxydisulfate; silver nitrate; copper(II) sulfate In hexane; water at 40℃; for 3h;85%
With ammonium peroxydisulfate; copper diacetate; silver nitrate In hexane; water at 40℃; for 3h;85%
124-38-9

carbon dioxide

75-64-9

tert-butylamine

1609-86-5

Tert-butyl isocyanate

Conditions
ConditionsYield
With di-isopropyl azodicarboxylate; triphenylphosphine In dichloromethane at -78 - 20℃; under 760 Torr;84%
With di-isopropyl azodicarboxylate; triphenylphosphine 1.) dichloromethane, -5 deg C to -10 deg C, 2.) dichloromethane, -78 deg C, ambient temp.; Yield given; Multistep reaction;
754-10-9

2,2-dimethylpropionamide

32503-27-8

tetra(n-butyl)ammonium hydrogensulfate

1609-86-5

Tert-butyl isocyanate

Conditions
ConditionsYield
With sodium hydroxide; hypochloric acid In dichloromethane; water83%

tert-Butylisocyanate Specification

1. Introduction of tert-Butylisocyanate
Tert-Butylisocyanate is an immidiate for medicine and pesticide. It is also called -Dimethylethyl isocyanate;1,1-dimethylethylisocyanate;2-isocyanato-2-methyl-propan;butylisocyanate(non-specificname) and so on.

2. Properties of tert-Butylisocyanate
bp : 85-86 °C(lit.)
density : 0.868 g/mL at 25 °C(lit.)
refractive index : n20/D 1.386(lit.)
Fp : 24 °F
storage temp. : 2-8°C
Sensitive : Moisture Sensitive

3. Safety Information of tert-Butylisocyanate
Hazard Codes : FlammableF,VeryT+,ToxicT
Risk Statements :
R11:Highly flammable.
R14 :Reacts violently with water. 
R22:Harmful if swallowed. 
R26:Very toxic by inhalation. 
R34:Causes burns. 
R37:Irritating to respiratory system 
R42:May cause sensitization by inhalation. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed. 
R10:Flammable.
Safety Statements :
S16:Keep away from sources of ignition. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S43:In case of fire use ... (there follows the type of fire-fighting equipment to be used.) 
S30:Never add water to this product.
RIDADR : UN 2484 6.1/PG 1
WGK Germany : 3
F : 10-21
HazardClass : 6.1
PackingGroup : I

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