5-Bromobenzo[c]isothiazole supplier

Name
5-Bromo-benzo[c]isothiazole
EINECS
CAS No. 20712-07-6
Density 1.748 g/cm³
Solubility
Melting Point
Formula C₇H₄BrNS
Boiling Point 284.72 °C at 760 mmHg
Molecular Weight 214.085
Flash Point 125.995 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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
PSA 41.13000
LogP 3.05880

5-Bromobenzo[c]isothiazole 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

Product Name

5-Bromo-benzo[c]isothiazole

5-Bromobenzo[c]isothiazole Specification

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