Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1,4-Benzenedicarbonitrile,N,N'-dioxide (9CI) |
EINECS | N/A |
CAS No. | 3729-34-8 | Density | 1.17 g/cm3 |
PSA | 61.34000 | LogP | 1.49696 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H4N2O2 | Boiling Point | N/A |
Molecular Weight | 160.132 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,4-Benzenedicarbonitrile, 1,4-dioxide; |
Article Data | 3 |
The 1,4-Benzenedicarbonitrile,N,N'-dioxide (9CI), with the CAS registry number 3729-34-8, is also known as 1,4-Benzenedicarbonitrile, 1,4-dioxide. This chemical's molecular formula is C8H4N2O2 and molecular weight is 160.1296. What's more, its IUPAC name is Benzene-1,4-dicarbonitrile oxide.
Physical properties about this chemical are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 61.34 Å2; (7)Index of Refraction: 1.567; (8)Molar Refractivity: 44.67 cm3; (9)Molar Volume: 136.7 cm3; (10)Polarizability: 17.71×10-24 cm3; (11)Surface Tension: 47.6 dyne/cm; (12)Density: 1.17 g/cm3.
Use of 1,4-Benzenedicarbonitrile,N,N'-dioxide (9CI): it is used to produce other chemicals. For example, it is used to produce Di(S-butyl) benzene-1,4-dicarboximidothioic acid ester. The reaction occurs with solvent CHCl3. And this reaction will occur at temperature of 15 °C for 30 hours. The yield is 64%.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+]#Cc1ccc(C#[N+][O-])cc1
(2) InChI: InChI=1/C8H4N2O2/c11-9-5-7-1-2-8(4-3-7)6-10-12/h1-4H
(3) InChIKey: JRVRIUGIFUNROE-UHFFFAOYAC