Product Name

  • Name

    4-NITROPHENOXYACETONITRILE

  • EINECS
  • CAS No. 33901-46-1
  • Article Data3
  • CAS DataBase
  • Density 1.317g/cm3
  • Solubility
  • Melting Point 74-76°C
  • Formula C8H6 N2 O3
  • Boiling Point 363.9 °C at 760 mmHg
  • Molecular Weight 178.147
  • Flash Point 173.9 °C
  • Transport Information
  • Appearance
  • Safety
    Risk Statements 20/22
    Safety Statements 22-36/37/39
    RIDADR 3276
    HazardClass 6.1
    PackingGroup III
  • Risk Codes 20/22
  • Molecular Structure Molecular Structure of 33901-46-1 (4-NITROPHENOXYACETONITRILE)
  • Hazard Symbols R20/22:Harmful by inhalation and if swallowed.;
  • Synonyms Acetonitrile,(4-nitrophenoxy)- (9CI);Acetonitrile, (p-nitrophenoxy)- (7CI,8CI);(4-Nitrophenoxy)acetonitrile;4-Nitrophenoxyacetonitrile,97%;
  • PSA 78.84000
  • LogP 2.02038

(4-Nitrophenoxy)acetonitrile Specification

The (4-Nitrophenoxy)acetonitrile with cas registry number of 33901-46-1, is also called 4-Nitrophenoxyacetonitrile,97%; (4-Nitrophenoxy)acetonitrile.

Physical properties of (4-Nitrophenoxy)acetonitrile: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.72; (5)ACD/BCF (pH 5.5): 11.92; (6)ACD/BCF (pH 7.4): 11.92; (7)ACD/KOC (pH 5.5): 205.18; (8)ACD/KOC (pH 7.4): 205.18; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 78.84 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 44.02 cm3; (15)Molar Volume: 135.1 cm3; (16)Polarizability: 17.45×10-24cm3; (17)Surface Tension: 54.6 dyne/cm; (18)Enthalpy of Vaporization: 61 kJ/mol; (19)Vapour Pressure: 1.75E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
(4-Nitrophenoxy)acetonitrile is also harmful by inhalation and if swallowed. So avoid to breathe dust. When use it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure: (1)SMILES:[O-][N+](=O)c1ccc(OCC#N)cc1; (2)InChI:InChI=1/C8H6N2O3/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,6H2; (3)InChIKey:HFRYXZNUOFIXGS-UHFFFAOYAB; (4)Std. InChI:InChI=1S/C8H6N2O3/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,6H2; (5)Std. InChIKey:HFRYXZNUOFIXGS-UHFFFAOYSA-N.

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