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| CAS No.: | 20712-07-6 |
|---|---|
| Name: | 5-Bromo-benzo[c]isothiazole |
| Molecular Structure: | |
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| Formula: | C7H4BrNS |
| Molecular Weight: | 214.085 |
| Synonyms: | 5-BROMOBENZO-ISOTHIAZOLE;5-Bromoisatinbenzo[c]isothiazole;1-(2,1-benzothiazol-3-yl)-5-broMo-2,3-dihydro-1H-indole-2,3-dione;5-Bromo-2,1-benzothiazole |
| Density: | 1.748 g/cm3 |
| Boiling Point: | 284.72 °C at 760 mmHg |
| Flash Point: | 125.995 °C |
| PSA: | 41.13000 |
| LogP: | 3.05880 |
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Specification
The 5-Bromobenzo[c]isothiazole is an organic compound with the formula C7H4BrNS. The IUPAC name of this chemical is 5-bromo-2,1-benzothiazole. With the CAS registry number 20712-07-6, it is also named as 2,1-benzisothiazole, 5-bromo-.
Physical properties about 5-Bromobenzo[c]isothiazole are: (1)ACD/LogP: 2.86; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 86; (5)ACD/BCF (pH 7.4): 87; (6)ACD/KOC (pH 5.5): 846; (7)ACD/KOC (pH 7.4): 852; (8)#H bond acceptors: 1; (9)Polar Surface Area: 41.13 Å2; (10)Index of Refraction: 1.718; (11)Molar Refractivity: 48.261 cm3; (12)Molar Volume: 122.437 cm3; (13)Polarizability: 19.132×10-24cm3; (14)Surface Tension: 58.706 dyne/cm; (15)Density: 1.748 g/cm3; (16)Flash Point: 125.995 °C; (17)Enthalpy of Vaporization: 50.27 kJ/mol; (18)Boiling Point: 284.72 °C at 760 mmHg; (19)Vapour Pressure: 0.005 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Br)csn2
(2)InChI: InChI=1/C7H4BrNS/c8-6-1-2-7-5(3-6)4-10-9-7/h1-4H
(3)InChIKey: OZRILMBPXSZJAR-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C7H4BrNS/c8-6-1-2-7-5(3-6)4-10-9-7/h1-4H
(5)Std. InChIKey: OZRILMBPXSZJAR-UHFFFAOYSA-N