Tert-Butyl isocyanide

Names

[ Name ]:
Tert-Butyl isocyanide

[Synonym ]:
EINECS 230-553-5
tert-butylisocyanide
t-butylisocyanide
Tert-Butyl isocyanide
tert-Butylisonitrile
Propane, 2-isocyano-2-methyl-
t-Butylisonitrile
2-Isocyano-2-Methyl-Propane
.tert.-Butylisocyanide
2-Methyl-2-isocyanopropane
MFCD00000002
2-Isocyano-2-methylpropane
t-butyl isocyanide

Chemical & Physical Properties

[ Density]:
0.735 g/mL at 25 °C(lit.)

[ Boiling Point ]:
91 °C(lit.)

[ Molecular Formula ]:
C₅H₉N

[ Molecular Weight ]:
83.132

[ Flash Point ]:
-2 °C

[ Exact Mass ]:
83.073502

[ LogP ]:
0.93490

[ Index of Refraction ]:
n20/D 1.376(lit.)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EQ7102500

CHEMICAL NAME :: tert-Butyl isocyanide

CAS REGISTRY NUMBER :: 7188-38-7

LAST UPDATED :: 199206

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C5-H9-N

MOLECULAR WEIGHT :: 83.15

WISWESSER LINE NOTATION :: NCX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 710 mg/m3/4H

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay)

REFERENCE :: ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 33,241,1975

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 377 mg/m3/4H

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay)

REFERENCE :: ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 33,241,1975

Safety Information

[ Symbol ]:

GHS02, GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H225-H330

[ Precautionary Statements ]:
P210-P260-P284-P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
F: Flammable;T: Toxic;

[ Risk Phrases ]:
R11;R23

[ Safety Phrases ]:
S16-S45

[ RIDADR ]:
UN 1993 3/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
EQ7102500

[ Packaging Group ]:
II

[ Hazard Class ]:
3

[ HS Code ]:
2929109000

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Optimization of the Ugi reaction using parallel synthesis and automated liquid handling.

J. Vis. Exp. (21) , doi:10.3791/942, (2008)

The optimization of a Ugi reaction involving the mixing of furfurylamine, benzaldehyde, boc-glycine and t-butylisocyanide is described. Triplicate runs of 48 parallel experiments are reported, varying...

Palladium-catalyzed synthesis of isocoumarins and phthalides via tert-butyl isocyanide insertion.

J. Org. Chem. 77(22) , 10321-8, (2012)

A novel and highly efficient strategy for the synthesis of isocoumarins and phthalides through a palladium(0)-catalyzed reaction incorporating tert-butyl isocyanide has been developed. This process, p...

Towards molecular diversity: dealkylation of tert-butyl amine in Ugi-type multicomponent reaction product establishes tert-butyl isocyanide as a useful convertible isonitrile.

Org. Biomol. Chem. 8(16) , 3631-4, (2010)

With the development of a novel microwave-assisted one-pot tandem de-tert-butylation of tert-butyl amine in an Ugi-type multicomponent reaction product, tert-butyl isocyanide as a useful convertible i...