Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1,2-Benziodoxole-1(3H)-carbonitrile, 3-oxo- |
EINECS | N/A |
CAS No. | 172876-96-9 | Density | N/A |
PSA | 50.09000 | LogP | 1.92908 |
Solubility | N/A | Melting Point |
173-175 °C (decomp) |
Formula | C8H4INO2 | Boiling Point | N/A |
Molecular Weight | 273.03 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
NSC687712;3-Oxo-1,2-benziodoxole-1(3H)-carbonitrile; |
Article Data | 9 |
The 1,2-Benziodoxole-1(3H)-carbonitrile, 3-oxo-, with the CAS registry number 172876-96-9, is also called 3-Oxo-3H-1-λ-3-benzo[d][1,2]iodoxole-1-carbonitrile. It is a kind of irritant chemical, and the molecular formula of the chemical is C8H4INO2.
The characteristics of 1,2-Benziodoxole-1(3H)-carbonitrile, 3-oxo- are as followings: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 0; (4)Polar Surface Area: 50.09 Å2.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1ccc2c(c1)C(=O)OI2C#N
(2)InChI: InChI=1/C8H4INO2/c10-5-9-7-4-2-1-3-6(7)8(11)12-9/h1-4H
(3)InChIKey: AOTJNSUBRSAHHW-UHFFFAOYAC