Tert-Butyl isocyanide
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
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
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...