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| CAS No.: | 1609-86-5 |
|---|---|
| Name: | tert-Butylisocyanate |
| Article Data: | 82 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H9 N O |
| Molecular Weight: | 99.1326 |
| 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-; |
| EINECS: | 216-544-9 |
| Density: | 0.868 |
| Melting Point: | <-25oC |
| Boiling Point: | 85 C |
| Flash Point: | 24 ºF |
| Solubility: | Reacts |
| Appearance: | clear liquid |
| Hazard Symbols: |
 
|
| Risk Codes: | R11;R14;R22;R26;R34;R37;R42 |
| Safety: | S16;S26;S36/37/39;S45 |
| Transport Information: | UN 2484 |
| PSA: | 29.43000 |
| LogP: | 1.12070 |
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[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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| In benzene-d6 at 60℃; under 760.051 Torr; for 12h; Schlenk technique; Sealed tube; Inert atmosphere; | A 99% B n/a |
- 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 | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| In chlorobenzene at 335 - 345℃; under 0 Torr; | 97.9% |
| Conditions | Yield |
|---|---|
| With Phenyltrichlorosilane at 130 - 170℃; for 3.5h; | A n/a B 96.4% |
- 1609-86-5
Tert-butyl isocyanate
| Conditions | Yield |
|---|---|
| With pyridine; N-Methylpyrrole; toluene-4-sulfonic acid; triethylamine; citric acid In chlorobenzene at 110℃; for 13h; Solvent; Temperature; | 94% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With sodium hydroxide; hypochloric acid In dichloromethane; water | 83% |
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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 : 
F,
T+,
T
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