Product Name

  • Name

    2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile

  • EINECS 261-370-9
  • CAS No. 58632-95-4
  • Density 1.08 g/cm3
  • Solubility insoluble in water
  • Melting Point 85-88 °C(lit.)
  • Formula C13H14N2O3
  • Boiling Point 324.1 °C at 760 mmHg
  • Molecular Weight 246.266
  • Flash Point 149.8 °C
  • Transport Information UN 3276
  • Appearance White to off-white microcrystalline powder
  • Safety 22-24/25-36/37/39-26-36
  • Risk Codes 36/37/38-20/21/22
  • Molecular Structure Molecular Structure of 58632-95-4 (2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile)
  • Hazard Symbols HarmfulXn, IrritantXi
  • Synonyms Benzeneacetonitrile,a-[[[(1,1-dimethylethoxy)carbonyl]oxy]imino]-(9CI);2-(tert-Butyloxycarbonyloxyimino)-2-phenylacetonitrile;Boc-ON;NSC 328381;
  • PSA 71.68000
  • LogP 2.86598

2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile Chemical Properties

Molecular structure:

IUPAC Name: tert-Butyl [[cyano(phenyl)methylidene]amino] carbonate 
Molecular Formula: C13H14N2O3
Molecular Weight: 246.26
EINECS: 261-370-9
Density: 1.08 g/cm3
Melting Point: 86-89 ºC
Boiling Point: 324.1 °C at 760 mmHg
Flash Point: 149.8 °C
Solubility: insoluble
Freely Rotating Bonds: 5
Polar Surface Area: 71.68 Å2
Index of Refraction: 1.512
Molar Refractivity: 68.48 cm3
Molar Volume: 227.9 cm3
Polarizability: 27.14 ×10-24 cm3
Surface Tension: 37.6 dyne/cm
Enthalpy of Vaporization: 56.61 kJ/mol
Vapour Pressure: 0.000251 mmHg at 25°C 
Sensitive: moisture sensitive 
Properties: white to off-white microcrystalline powder
Synonyms of Boc-on (CAS NO.58632-95-4): alpha-[[[(1,1-dimethylethoxy)carbonyl]oxy]imino]-benzeneacetonitril ; N-tert-Butoxycarbonyloxyimino-2-phenylacetonitrile ; Labotest-bb lt00159655 ; Boc-on;2-(Boc-oxyimino)-2-phenylacetonitrile ; 2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile ; 2-(t-Butoxycarbonyloxyimino)-2-phenylacetonitrile ; 2-t-Butyloxycarbonyloxyimino-2-phenyl acetonitrile
Product categories: Pharmaceutical Raw Materials ; Biochemistry ; Peptide Synthesis ; Protection and Derivatization Reagents (for Synthesis) ; Protective Reagents (Peptide Synthesis) ; Synthetic Organic Chemistry ; Boc-Amino acid series

2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile Uses

 Boc-on (CAS NO.58632-95-4) is used as organic reagent and pharmaceutical intermediate.

2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile Safety Profile

Hazard Codes of Boc-on (CAS NO.58632-95-4): HarmfulXn,IrritantXi
Risk Statements: 36/37/38-20/21/22 
R36/37/38: Irritating to eyes, respiratory system and skin. 
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 22-24/25-36/37/39-26 
S22: Do not breathe dust. 
S24/25: Avoid contact with skin and eyes. 
S36/37: Wear suitable protective clothing and gloves. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
RIDADR: 3276
WGK Germany: 3
RTECS: DA0513600
F: 10-21
HazardClass: 6.1
PackingGroup: III

2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile Specification

 Its preparation product is tert-Butyl 2-(methylamino)ethylcarbamate .

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