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5-Chloro-4-nitro-2,1,3-benzothiadiazole

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Name

5-Chloro-4-nitro-2,1,3-benzothiadiazole

EINECS 258-258-3
CAS No. 2274-89-7 Density 1.749 g/cm3
PSA 99.84000 LogP 2.77610
Solubility N/A Melting Point 141℃
Formula C6H2ClN3O2S Boiling Point 348.8 °C at 760 mmHg
Molecular Weight 215.62 Flash Point 164.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes  Xi:Irritant;
Molecular Structure Molecular Structure of 2274-89-7 (5-Chloro-4-nitro-2,1,3-benzothiadiazole) Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms

5-Chloro-4-nitro-2,1,3-benzothiadiazole;NSC 202425;

 

5-Chloro-4-nitro-2,1,3-benzothiadiazole Specification

The 5-Chloro-4-nitro-2,1,3-benzothiadiazole, with CAS registry number 2274-89-7, belongs to the following product categories: (1)Aromatic Hydrocarbons (substituted) & Derivatives; (2)Halides; (3)Oxadiazoles & Thiadiazoles; (4)Oxadiazoles & Thiadiazoles. It has the systematic name of 5-chloro-4-nitro-2,1,3-benzothiadiazole. And the chemical formula of this chemical is C6H2ClN3O2S.

Physical properties of 5-Chloro-4-nitro-2,1,3-benzothiadiazole: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 99.84 Å2; (7)Index of Refraction: 1.747; (8)Molar Refractivity: 50.1 cm3; (9)Molar Volume: 123.2 cm3; (10)Polarizability: 19.86×10-24cm3; (11)Surface Tension: 84.6 dyne/cm; (12)Density: 1.749 g/cm3; (13)Flash Point: 164.7 °C; (14)Enthalpy of Vaporization: 56.98 kJ/mol; (15)Boiling Point: 348.8 °C at 760 mmHg; (16)Vapour Pressure: 9.9E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c(Cl)ccc2nsnc12
(2)InChI: InChI=1/C6H2ClN3O2S/c7-3-1-2-4-5(9-13-8-4)6(3)10(11)12/h1-2H
(3)InChIKey: MSDMEVQEACHYNS-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C6H2ClN3O2S/c7-3-1-2-4-5(9-13-8-4)6(3)10(11)12/h1-2H
(5)Std. InChIKey: MSDMEVQEACHYNS-UHFFFAOYSA-N

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