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[1,1'-Biphenyl]-4-carbonitrile,2'-nitro-

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Name

[1,1'-Biphenyl]-4-carbonitrile,2'-nitro-

EINECS N/A
CAS No. 75898-34-9 Density 1.304 g/cm3
PSA 69.61000 LogP 3.65668
Solubility N/A Melting Point 148 °C
Formula C13H8N2O2 Boiling Point 395.361 °C at 760 mmHg
Molecular Weight 224.219 Flash Point 192.908 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 75898-34-9 (4-CYANO-2'-NITRODIPHENYL) Hazard Symbols N/A
Synonyms

2-Nitro-4'-cyanobiphenyl;2'-Nitrobiphenyl-4-carbonitrile;

Article Data 13

[1,1'-Biphenyl]-4-carbonitrile,2'-nitro- Specification

This chemical is called [1,1'-Biphenyl]-4-carbonitrile,2'-nitro-, and it can also be named as 4-Cyano-2'-nitrodiphenyl. With the molecular formula of C13H8N2O2, its molecular weight is 224.21. The CAS registry number of this chemical is 75898-34-9, and its systematic name is 2'-Nitrobiphenyl-4-carbonitrile. Additionally, this chemical should be stored in the closed container in the cool and dry place, away from the oxidant. 

Other characteristics of the [1,1'-Biphenyl]-4-carbonitrile,2'-nitro- can be summarised as followings: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 69.61 Å2; (7)Index of Refraction: 1.641; (8)Molar Refractivity: 62.059 cm3; (9)Molar Volume: 171.984 cm3; (10)Polarizability: 24.602×10-24 cm3; (11)Surface Tension: 61.765 dyne/cm; (12)Density: 1.304 g/cm3; (13)Flash Point: 192.908 °C; (14)Enthalpy of Vaporization: 64.551 kJ/mol; (15)Boiling Point: 395.361 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

Production method of this chemical: The 4'-Nitro-(1,1'-biphenyl)-4-carbonitrile and [1,1'-Biphenyl]-4-carbonitrile,2'-nitro- could be obtained by the reactant of Biphenyl-4-carbonitrile. This reaction needs the reagents of HNO3(d 1.50) and acetic anhydride. The yield is 43 %. In addition, this reaction should be taken for 20 minutes at the ambient temperature.

[1,1'-Biphenyl]-4-carbonitrile,2'-nitro- can be prepared by biphenyl-4-carbonitrile

Uses of this chemical: The 2'-Nitro-biphenyl-4-carboxylic acid could be obtained by the reactant of [1,1'-Biphenyl]-4-carbonitrile,2'-nitro-. This reaction needs the reagents of 10percent aq.NaOH and 30percent H2O2, and the solvent of propan-1-ol. The yield is 76 %. This reaction should be taken for 6 hours. The other condition is heating.

The 2'-Nitro-biphenyl-4-carboxylic acid could be obtained by the reactant of [1,1'-Biphenyl]-4-carbonitrile,2'-nitro-.

You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c2ccccc2c1ccc(C#N)cc1
2.InChI: InChI=1/C13H8N2O2/c14-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)15(16)17/h1-8H
3.InChIKey: LZUDBRIMDISCJM-UHFFFAOYAU

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