Tert-Butyl isocyanide

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Names

[ CAS No. ]:
7188-38-7

[ 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...


More Articles

Related Compounds

  • Os(CO)4(tert-butyl isocyanide)
  • (tert-butyl isocyanide)chlorogold(I)
  • [(carbonyl)2OsBr(tert-butyl isocyanide)2][(carbonyl)4Os][Mn(carbonyl)5]
  • TERT-BUTYL 3-ISOCYANOPROPIONATE
  • tert-butyl N-(2-isocyanoethyl)carbamate
  • TERT-BUTYL 2-ISOCYANO-3-METHYLBUTYRATE
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 1-(3-Bromophenyl)-1h-pyrazolo[3,4-b]pyridine-3-carboxamide
  • 5-fluoro-2-{2H,3H,5H,6H,7H,8H-imidazo[1,2-a]pyrimidin-5-yl}pyridine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine