Product Name

  • Name

    (4,5-DIMETHOXY-2-NITRO-PHENYL)-ACETONITRILE

  • EINECS
  • CAS No. 17354-04-0
  • Article Data7
  • CAS DataBase
  • Density 1.266 g/cm3
  • Solubility
  • Melting Point 110-112℃
  • Formula C10H10N2O4
  • Boiling Point 398.5 °C at 760 mmHg
  • Molecular Weight 222.2
  • Flash Point 194.8 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37
  • Risk Codes 20/21/22-36/37/38
  • Molecular Structure Molecular Structure of 17354-04-0 ((4,5-DIMETHOXY-2-NITRO-PHENYL)-ACETONITRILE)
  • Hazard Symbols
  • Synonyms Acetonitrile,(4,5-dimethoxy-2-nitrophenyl)- (5CI);2-Nitro-4,5-dimethoxyphenylacetonitrile;4,5-Dimethoxy-2-nitrophenylacetonitrile;NSC 10126;
  • PSA 88.07000
  • LogP 2.20128

Benzeneacetonitrile,4,5-dimethoxy-2-nitro- Specification

The Benzeneacetonitrile,4,5-dimethoxy-2-nitro-, with CAS registry number 17354-04-0, belongs to the following product categories: (1)Blocks; (2)Carboxes; (3)NitroCompounds. It has the systematic name of (4,5-dimethoxy-2-nitrophenyl)acetonitrile. And the chemical formula of this chemical is C10H10N2O4.

Physical properties of Benzeneacetonitrile,4,5-dimethoxy-2-nitro-: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 88.07 Å2; (7)Index of Refraction: 1.546; (8)Molar Refractivity: 55.61 cm3; (9)Molar Volume: 175.4 cm3; (10)Polarizability: 22.04×10-24cm3; (11)Surface Tension: 47.6 dyne/cm; (12)Density: 1.266 g/cm3; (13)Flash Point: 194.8 °C; (14)Enthalpy of Vaporization: 64.91 kJ/mol; (15)Boiling Point: 398.5 °C at 760 mmHg; (16)Vapour Pressure: 1.47E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by (3,4-dimethoxy-phenyl)-acetonitrile. This reaction will need reagents acetic acid, concentrated HNO3.

Benzeneacetonitrile,4,5-dimethoxy-2-nitro- can be prepared by (3,4-dimethoxy-phenyl)-acetonitrile

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c(cc(OC)c(OC)c1)CC#N
(2)InChI: InChI=1/C10H10N2O4/c1-15-9-5-7(3-4-11)8(12(13)14)6-10(9)16-2/h5-6H,3H2,1-2H3
(3)InChIKey: PKDJSFDIQCAPSY-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H10N2O4/c1-15-9-5-7(3-4-11)8(12(13)14)6-10(9)16-2/h5-6H,3H2,1-2H3
(5)Std. InChIKey: PKDJSFDIQCAPSY-UHFFFAOYSA-N

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