CAS No.17354-04-0,(4,5-DIMETHOXY-2-NITRO-PHENYL)-ACETONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17354-04-0
Name:	(4,5-DIMETHOXY-2-NITRO-PHENYL)-ACETONITRILE
Article Data:	7

Formula:	C₁₀H₁₀N₂O₄
Molecular Weight:	222.2
Synonyms:	Acetonitrile,(4,5-dimethoxy-2-nitrophenyl)- (5CI);2-Nitro-4,5-dimethoxyphenylacetonitrile;4,5-Dimethoxy-2-nitrophenylacetonitrile;NSC 10126;
Density:	1.266 g/cm³
Melting Point:	110-112℃
Boiling Point:	398.5 °C at 760 mmHg
Flash Point:	194.8 °C
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37
PSA:	88.07000
LogP:	2.20128

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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