1,2-Benziodoxole-1(3H)-carbonitrile, 3-oxo- supplier

Name
1,2-BENZIODOXOLE-1(3H)-CARBONITRILE
EINECS
CAS No. 172876-96-9
Article Data9
CAS DataBase
Density
Solubility
Melting Point 173-175 °C (decomp)
Formula C₈H₄INO₂
Boiling Point
Molecular Weight 273.03
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms NSC687712;3-Oxo-1,2-benziodoxole-1(3H)-carbonitrile;
PSA 50.09000
LogP 1.92908

1,2-Benziodoxole-1(3H)-carbonitrile, 3-oxo- Specification

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

Product Name

1,2-BENZIODOXOLE-1(3H)-CARBONITRILE

1,2-Benziodoxole-1(3H)-carbonitrile, 3-oxo- Specification

Related Products

Hot Products