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CAS No.: | 767-68-0 |
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Name: | Benzothiazole, 4-bromo- (7CI,8CI) |
Molecular Structure: | |
Formula: | C7H4BrNS |
Molecular Weight: | 214.085 |
Synonyms: | 4-broMo-1,3-benzothiazole |
Density: | 1.748 g/cm3 |
Melting Point: | 90 °C |
Boiling Point: | 291.5 °C at 760 mmHg |
Flash Point: | 130.1 °C |
PSA: | 41.13000 |
LogP: | 3.05880 |
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The Benzothiazole, 4-bromo- (7CI,8CI) is an organic compound with the formula C7H4BrNS. The systematic name of this chemical is 4-bromo-1,3-benzothiazole. With the CAS registry number 767-68-0, it is also named as 4-Bromobenzothiazole. The product's category is Benzothiazole.
Physical properties about Benzothiazole, 4-bromo- (7CI,8CI) are: (1)ACD/LogP: 2.78; (2)#H bond acceptors: 1; (3)Polar Surface Area: 41.13 Å2; (4)Index of Refraction: 1.718; (5)Molar Refractivity: 48.26 cm3; (6)Molar Volume: 122.4 cm3; (7)Polarizability: 19.13×10-24cm3; (8)Surface Tension: 58.7 dyne/cm; (9)Density: 1.748 g/cm3; (10)Flash Point: 130.1 °C; (11)Enthalpy of Vaporization: 50.97 kJ/mol; (12)Boiling Point: 291.5 °C at 760 mmHg; (13)Vapour Pressure: 0.00339 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cccc1scnc12
(2)InChI: InChI=1/C7H4BrNS/c8-5-2-1-3-6-7(5)9-4-10-6/h1-4H
(3)InChIKey: SXZKODVCLOIJGX-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C7H4BrNS/c8-5-2-1-3-6-7(5)9-4-10-6/h1-4H
(5)Std. InChIKey: SXZKODVCLOIJGX-UHFFFAOYSA-N