2,5-Dibromobenzo[d]thiazole supplier

Name
2,5-DIBROMOBENZOTHIAZOLE
EINECS
CAS No. 1019111-64-8
Density 2.114 g/cm³
Solubility
Melting Point
Formula C₇H₃Br₂NS
Boiling Point 352.472 °C at 760 mmHg
Molecular Weight 292.982
Flash Point 166.969 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzothiazole, 2,5-dibromo-;2,5-Dibromo-1,3-benzothiazole;
PSA 41.13000
LogP 3.82130

2,5-Dibromobenzo[d]thiazole Specification

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

Product Name

2,5-DIBROMOBENZOTHIAZOLE

2,5-Dibromobenzo[d]thiazole Specification

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