5-Methoxy-2-nitrobenzonitrile supplier

Name
5-METHOXY-2-NITROBENZONITRILE
EINECS
CAS No. 38469-84-0
Article Data11
CAS DataBase
Density 1.32 g/cm³
Solubility
Melting Point 96 °C
Formula C₈H₆N₂O₃
Boiling Point 352.2 °C at 760 mmHg
Molecular Weight 178.147
Flash Point 166.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzonitrile, 5-methoxy-2-nitro-;
PSA 78.84000
LogP 1.99828

5-Methoxy-2-nitrobenzonitrile Specification

This chemical has the systematic name 5-Methoxy-2-nitro-benzonitrile. With the CAS registry number 38469-84-0, it is also known as benzonitrile, 5-methoxy-2-nitro-. Its molecular formula is C₈H₆N₂O₃ and its molecular weight is 178.14484 .

Other characteristics of the 5-Methoxy-2-nitro-benzonitrile can be summarised as followings: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 78.84 Å²; (7)Index of Refraction: 1.563; (8)Molar Refractivity: 43.71 cm³; (9)Molar Volume: 134.5 cm³; (10)Polarizability: 17.33.×10^-24cm³; (11)Surface Tension: 56.3 dyne/cm; (12)Density: 1.32 g/cm³; (13)Flash Point: 166.8 °C; (14)Enthalpy of Vaporization: 59.7 kJ/mol; (15)Boiling Point: 352.2 °C at 760 mmHg; (16)Vapour Pressure: 3.9E-05 mmHg at 25°C.

Uses of the 5-Methoxy-2-nitro-benzonitrile: It could be used to produce the 2-amino-5-methoxy-benzonitrile. This reaction needs the reagent of SnCl₂, and the solvent of ethanol. The yield is 99 %. In addition, this reaction should be taken for 30 minutes at the temperature of 70°C.

the 5-Methoxy-2-nitro-benzonitrile could be used to produce the 2-amino-5-methoxy-benzonitrile

You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1c(C#N)cc(OC)cc1
2.InChI: InChI=1/C8H6N2O3/c1-13-7-2-3-8(10(11)12)6(4-7)5-9/h2-4H,1H3
3.InChIKey: GCXTYFJQZDWUNU-UHFFFAOYAW

Product Name

5-METHOXY-2-NITROBENZONITRILE

5-Methoxy-2-nitrobenzonitrile Specification

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