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| CAS No.: | 75898-34-9 |
|---|---|
| Name: | 4-CYANO-2'-NITRODIPHENYL |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C13H8N2O2 |
| Molecular Weight: | 224.219 |
| Synonyms: | 2-Nitro-4'-cyanobiphenyl;2'-Nitrobiphenyl-4-carbonitrile; |
| Density: | 1.304 g/cm3 |
| Melting Point: | 148 °C |
| Boiling Point: | 395.361 °C at 760 mmHg |
| Flash Point: | 192.908 °C |
| PSA: | 69.61000 |
| LogP: | 3.65668 |
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- Total:6 Page 1 of 1 1
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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](/UserFilesUpload/Preparation of [1,1'-Biphenyl]-4-carbonitrile,2'-nitro-(1).jpg)
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-.](/UserFilesUpload/Uses of [1,1'-Biphenyl]-4-carbonitrile,2'-nitro-.jpg)
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