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2,1,3-Benzothiadiazole,4-iodo-

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Name

2,1,3-Benzothiadiazole,4-iodo-

EINECS
CAS No. 352018-95-2 Density 2.156 g/cm3
Solubility Melting Point 96 °C
Formula C6H3IN2S Boiling Point 298.2 °C at 760 mmHg
Molecular Weight 262.07 Flash Point 134.1 °C
Transport Information Appearance
Safety Risk Codes  C:Corrosive;
Molecular Structure Molecular Structure of 352018-95-2 (2,1,3-Benzothiadiazole,4-iodo-) Hazard Symbols
Synonyms

4-Iodo[2,1,3]benzothiadiazole;4-Iodobenzo[1,2,5]thiadiazole;

 

2,1,3-Benzothiadiazole,4-iodo- Specification

The 2,1,3-Benzothiadiazole,4-iodo-, with the CAS registry number 352018-95-2, is also known as 4-Iodobenzo[1,2,5]thiadiazole. This chemical's molecular formula is C6H3IN2S and molecular weight is 262.07. What's more, its systematic name is 4-iodo-2,1,3-benzothiadiazole. 

Physical properties of 2,1,3-Benzothiadiazole,4-iodo- are: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/BCF (pH 5.5): 114.53; (5)ACD/KOC (pH 5.5): 1036.03; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 54.02 Å2; (10)Index of Refraction: 1.791; (11)Molar Refractivity: 51.56 cm3; (12)Molar Volume: 121.5 cm3; (13)Surface Tension: 75.3 dyne/cm; (14)Density: 2.156 g/cm3; (15)Flash Point: 134.1 °C; (16)Enthalpy of Vaporization: 51.66 kJ/mol; (17)Boiling Point: 298.2 °C at 760 mmHg; (18)Vapour Pressure: 0.00229 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cccc2nsnc12
(2)InChI: InChI=1S/C6H3IN2S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H
(3)InChIKey: ROPRWVSWECJQIC-UHFFFAOYSA-N

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