Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzeneacetonitrile,4,5-dimethoxy-2-nitro- |
EINECS | N/A |
CAS No. | 17354-04-0 | Density | 1.266 g/cm3 |
PSA | 88.07000 | LogP | 2.20128 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | 26-36/37 | Risk Codes | 20/21/22-36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Acetonitrile,(4,5-dimethoxy-2-nitrophenyl)- (5CI);2-Nitro-4,5-dimethoxyphenylacetonitrile;4,5-Dimethoxy-2-nitrophenylacetonitrile;NSC 10126; |
Article Data | 7 |
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.
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