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| CAS No.: | 2274-89-7 |
|---|---|
| Name: | 5-Chloro-4-nitro-2,1,3-benzothiadiazole |
| Molecular Structure: | |
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| Formula: | C6H2ClN3O2S |
| Molecular Weight: | 215.62 |
| Synonyms: | 5-Chloro-4-nitro-2,1,3-benzothiadiazole;NSC 202425; |
| EINECS: | 258-258-3 |
| Density: | 1.749 g/cm3 |
| Melting Point: | 141℃ |
| Boiling Point: | 348.8 °C at 760 mmHg |
| Flash Point: | 164.7 °C |
| Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 99.84000 |
| LogP: | 2.77610 |
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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