Basic Information | Post buying leads | Suppliers |
Name |
2,5-Dibromobenzo[d]thiazole |
EINECS | N/A |
CAS No. | 1019111-64-8 | Density | 2.114 g/cm3 |
PSA | 41.13000 | LogP | 3.82130 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H3Br2NS | Boiling Point | 352.472 °C at 760 mmHg |
Molecular Weight | 292.982 | Flash Point | 166.969 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzothiazole, 2,5-dibromo-;2,5-Dibromo-1,3-benzothiazole; |
The 2,5-Dibromobenzo[d]thiazole, with the CAS registry number 1019111-64-8, is also known as Benzothiazole, 2,5-dibromo-. This chemical's molecular formula is C7H3Br2NS and molecular weight is 292.98. What's more, its systematic name is 2,5-Dibromo-1,3-benzothiazole.
Physical properties of 2,5-Dibromobenzo[d]thiazole are: (1)ACD/LogP: 3.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.874; (4)ACD/LogD (pH 7.4): 3.874; (5)ACD/BCF (pH 5.5): 518.029; (6)ACD/BCF (pH 7.4): 518.029; (7)ACD/KOC (pH 5.5): 3051.67; (8)ACD/KOC (pH 7.4): 3051.672; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.13 Å2; (13)Index of Refraction: 1.741; (14)Molar Refractivity: 55.951 cm3; (15)Molar Volume: 138.622 cm3; (16)Polarizability: 22.181×10-24 cm3; (17)Surface Tension: 62.27 dyne/cm; (18)Density: 2.114 g/cm3; (19)Flash Point: 166.969 °C; (20)Enthalpy of Vaporization: 57.372 kJ/mol; (21)Boiling Point: 352.472 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Br)nc(s2)Br
(2)InChI: InChI=1/C7H3Br2NS/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H
(3)InChIKey: XJVJGOIARLIDRN-UHFFFAOYAA