5-Bromo-1H-benzimidazole CAS NO.4887-88-1

1.Introduction of 4887-88-1

5-Bromo-1H-benzimidazole has its CAS registry number of 4887-88-1. Its synonys are
5-bromo-1h-benzi

1.Introduction of 4887-88-1

5-Bromo-1H-benzimidazole has its CAS registry number of 4887-88-1. Its synonys are
5-bromo-1h-benzimidazole, 5-bromo-1h-benzo[d]imidazole, 5-bromo-1h-benzoimidazole, 1h-benzimidazole,5-bromo-(9ci), 5-bromobenzimidazole, 6-bromo-1h-benzo[d]imidazole, 6-bromo-1h-benzimidazole(saltdata: free), 1h-benzimidazole, 6-bromo-. Our product has purity of 98.0% in white powder. Its product categories are benzimidazole, pharmacetical, imidazol&benzimidazole, building blocks, c3 to c8, chemical synthesis, heterocyclic building blocks, imidazoles, new products for chemical synthesis.

2.Properties of 4887-88-1

ACD/LogP: 2.104
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 2.04
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 5.5): 20.11
ACD/BCF (pH 7.4): 23.33
ACD/KOC (pH 5.5): 285.76
ACD/KOC (pH 7.4): 331.57
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
Polar Surface Area: 28.68?²
Index of Refraction: 1.728
Molar Refractivity: 44.31 cm³
Molar Volume: 111.28 cm³
Polarizability: 17.566 10-24cm³
Surface Tension: 64.495002746582 dyne/cm
Density: 1.771 g/cm³
Flash Point: 206.208 °C
Enthalpy of Vaporization: 64.471 kJ/mol
Boiling Point: 417.353 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 4887-88-1

(1)InChI: InChI=1S/C7H5BrN2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)
(2)InChIKey: GEDVWGDBMPJNEV-UHFFFAOYSA-N
(3)Canonical SMILES : C1=CC2=C(C=C1Br)NC=N2