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Cas Database |
| Name |
tert-Butyl isocyanide |
EINECS | 230-553-5 |
| CAS No. | 7188-38-7 | Density | 0.735 g/mL at 25 °C(lit.) |
| PSA | 0.00000 | LogP | 0.93490 |
| Solubility | N/A | 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 |
|
Hazard Symbols |
 F T
|
| Synonyms |
tert-Butylisocyanide (6CI,7CI,8CI); 1,1-Dimethylethyl isocyanide;2-Isocyano-2-methylpropane; t-Butylisocyanide; t-Butylisonitrile; tert-Butylisonitrile |
Article Data | 64 |
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: C5H9N
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: 
F, 
T
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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