| Identification | |
| Name: | 5-Benzothiazolamine,4-bromo- |
| Synonyms: | Benzothiazole,5-amino-4-bromo- (7CI,8CI);4-Bromobenzothiazole-5-amine;5-Amino-4-bromobenzothiazole; |
| CAS: | 769-19-7 |
| Molecular Formula: | C7H5BrN2S |
| Molecular Weight: | 229.10 |
| InChI: | InChI=1/C7H5BrN2S/c8-6-4(9)1-2-5-7(6)10-3-11-5/h1-3H,9H2 |
| Molecular Structure: |  |
| Properties | |
| Flash Point: | 359.3 °C at 760 mmHg |
| Boiling Point: | 359.3 °C at 760 mmHg |
| Density: | 1.836 g/cm3 |
| Refractive index: | 1.783 |
| Specification: |
The systematic name of 5-Amino-4-bromobenzothiazole is 4-bromo-1,3-benzothiazol-5-amine. With the CAS registry number 769-19-7, it is also named as 5-Benzothiazolamine,4-bromo-. In addition, its molecular formula is C7H5BrN2S and its molecular weight is 229.10. The other characteristics of 5-Amino-4-bromobenzothiazole can be summarized as: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 19.01; (6)ACD/BCF (pH 7.4): 19.01; (7)ACD/KOC (pH 5.5): 286.45; (8)ACD/KOC (pH 7.4): 286.53; (9)H bond acceptors: 2; (10)H bond donors: 2; (11)Freely Rotating Bonds: 1; (12)Polar Surface Area: 67.15 Å2; (13)Index of Refraction: 1.783; (14)Molar Refractivity: 52.49 cm3; (15)Molar Volume: 124.7 cm3; (16)Polarizability: 20.81×10-24cm3; (17)Surface Tension: 73.1 dyne/cm; (18)Density: 1.836 g/cm3; (19)Flash Point: 171.1 °C; (20)Enthalpy of Vaporization: 60.49 kJ/mol; (21)Boiling Point: 359.3 °C at 760 mmHg; (22)Vapour Pressure: 2.4E-05 mmHg at 25 °C. People can use the following data to convert to the molecule structure. |
| Flash Point: | 359.3 °C at 760 mmHg |
| Safety Data | |
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