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7188-38-7

Basic Information
CAS No.: 7188-38-7
Name: TERT-BUTYL ISOCYANIDE
Article Data: 64
Molecular Structure:
Molecular Structure of 7188-38-7 (TERT-BUTYL ISOCYANIDE)
Formula: C5H9 N
Molecular Weight: 83.1332
Synonyms: tert-Butylisocyanide (6CI,7CI,8CI); 1,1-Dimethylethyl isocyanide;2-Isocyano-2-methylpropane; t-Butylisocyanide; t-Butylisonitrile; tert-Butylisonitrile
EINECS: 230-553-5
Density: 0.735 g/mL at 25 °C(lit.)
Melting Point: 148-150 °C
Boiling Point: 91 °C(lit.)
Flash Point: -2 °C
Appearance: clear colorless liquid
Hazard Symbols: FlammableFToxicT
Risk Codes: 11-23
Safety: Moderately toxic by inhalation. When heated to decomposition it emits toxic fumes of NOx and CN.
Transport Information: UN 1993 3
PSA: 0.00000
LogP: 0.93490
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    TERT-BUTYL ISOCYANIDE Basic information Product Name: TERT-BUTYL ISOCYANIDE Synonyms: 2-ISOCYANO-2-METHYL-PROPANE;TERT-BUTYL ISOCYANIDE;TERT-BUTYL ISONITRILE;T-BUTY

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  • tert-Butyl Isocyanide CAS No. 7188-38-7

  • Casno:

    7188-38-7

    tert-Butyl Isocyanide CAS No. 7188-38-7

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  • tert-Butyl isocyanide

  • Casno:

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  • Casno:

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  • tert-Butyl isocyanide

  • Casno:

    7188-38-7

    tert-Butyl isocyanide

    Min.Order: 1 Gram

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  • Casno:

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Chemistry

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

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.

Consensus Reports

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

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

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.