Product Name

  • Name

    TERT-BUTYL ISOCYANIDE

  • EINECS 230-553-5
  • CAS No. 7188-38-7
  • Article Data64
  • CAS DataBase
  • Density 0.735 g/mL at 25 °C(lit.)
  • Solubility
  • Melting Point 148-150 °C
  • Formula C5H9 N
  • Boiling Point 91 °C(lit.)
  • Molecular Weight 83.1332
  • Flash Point -2 °C
  • Transport Information UN 1993 3
  • Appearance clear colorless liquid
  • Safety Moderately toxic by inhalation. When heated to decomposition it emits toxic fumes of NOx and CN.
  • Risk Codes 11-23
  • Molecular Structure Molecular Structure of 7188-38-7 (TERT-BUTYL ISOCYANIDE)
  • Hazard Symbols FlammableFToxicT
  • Synonyms tert-Butylisocyanide (6CI,7CI,8CI); 1,1-Dimethylethyl isocyanide;2-Isocyano-2-methylpropane; t-Butylisocyanide; t-Butylisonitrile; tert-Butylisonitrile
  • PSA 0.00000
  • LogP 0.93490

tert-Butyl isocyanide Chemical Properties

Molecule structure of tert-Butyl isocyanide (CAS NO.7188-38-7) :

IUPAC Name: 2-isocyano-2-methylpropane 
Molecular Weight: 83.13166 g/mol
Molecular Formula: C5H9
Density: 0.735 g/mL at 25 °C(lit.)
Boiling Point: -2 °C(lit.)
Flash Point: 281.1 °C
Storage Temp.: flammables area 
Refractive Index: n20/D 1.376(lit.)
XLogP3-AA: 0.9
H-Bond Acceptor: 1
Exact Mass: 83.073499
MonoIsotopic Mass: 83.073499
Topological Polar Surface Area: 4.4
Heavy Atom Count: 6
Complexity: 77.8
Canonical SMILES: CC(C)(C)[N+]#[C-]
InChI: InChI=1S/C5H9N/c1-5(2,3)6-4/h1-3H3
InChIKey: FAGLEPBREOXSAC-UHFFFAOYSA-N
EINECS: 230-553-5
Product Categories: Isocyanides; Nitrogen Compounds; Organic Building Blocks

tert-Butyl isocyanide Toxicity Data With Reference

1.    

ihl-rat LC50:710 mg/m3/4H

    ARTODN    Archives of Toxicology. 33 (1975),241.
2.    

ihl-mus LC50:377 mg/m3/4H

    ARTODN    Archives of Toxicology. 33 (1975),241.

tert-Butyl isocyanide Consensus Reports

Cyanide and its compounds are on the Community Right-To-Know List.

tert-Butyl isocyanide Safety Profile

Moderately toxic by inhalation. When heated to decomposition it emits toxic fumes of NOx and CN.
Hazard Codes: FlammableF, ToxicT
Risk Statements: 11-23 
R11:Highly flammable. 
R23 :Toxic by inhalation.
Safety Statements: 16-45 
S16:Keep away from sources of ignition. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR UN: 1993 3/PG 2
WGK Germany: 3
RTECS: EQ7102500
HazardClass: 3
PackingGroup: II

tert-Butyl isocyanide Specification

 tert-Butyl isocyanide (CAS NO.7188-38-7) is also called 2-Isocyano-2-methylpropane ; 2-Methyl-2-isocyanopropane ; NSC 141687 ; TBIN ; t-Butylisonitrile ; tert-Butylisonitrile ; 2-Methylpropyl isocyanide  ; Propane, 2-isocyano-2-methyl- (9CI) ; Propane, 2-isocyano-2-methyl- (VAN) (9CI) . tert-Butyl isocyanide (CAS NO.7188-38-7) is clear colorless liquid
tert-Butyl isocyanide (CAS NO.7188-38-7) is moderate toxic. It is flammable by fire, heat and oxidants. It will produce toxic oxides of nitrogen and cyanide fumes by heat. So the storage environment should be ventilate, low-temperature and dry. Keep tert-Butyl isocyanide (CAS NO.7188-38-7) separate from oxidants.

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