1H-Benzimidazole,5-bromo-2-(chloromethyl)- supplier

Name
5-bromo-2-(chloromethyl)-1H-benzo[d]imidazole
EINECS
CAS No. 1740-88-1
Article Data6
CAS DataBase
Density 1.766 g/cm³
Solubility
Melting Point
Formula C₈H₆BrClN₂
Boiling Point 426.1 °C at 760 mmHg
Molecular Weight 245.50
Flash Point 211.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzimidazole, 5-bromo-2-(chloromethyl)- (8CI);5-Bromo-2-(chloromethyl)benzimidazole;1H-Benzimidazole,5-bromo-2-(chloromethyl)- (9CI);5-Bromo-2-(chloromethyl)-1H-benzimidazole;
PSA 28.68000
LogP 3.06420

1H-Benzimidazole,5-bromo-2-(chloromethyl)- Specification

The 1H-Benzimidazole,5-bromo-2-(chloromethyl)-, with the CAS registry number 1740-88-1, is also known as 5-Bromo-2-(chloromethyl)benzimidazole. It belongs to the product category of Benzimidazole. This chemical's molecular formula is C₈H₆BrClN₂ and molecular weight is 245.50. What's more, its systematic name is 5-bromo-2-(chloromethyl)-1H-benzimidazole.

Physical properties of 1H-Benzimidazole,5-bromo-2-(chloromethyl)- are: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.68; (5)ACD/BCF (pH 5.5): 61.79; (6)ACD/BCF (pH 7.4): 63.48; (7)ACD/KOC (pH 5.5): 660.25; (8)ACD/KOC (pH 7.4): 678.34; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 28.68 Å²; (13)Index of Refraction: 1.706; (14)Molar Refractivity: 54.07 cm³; (15)Molar Volume: 138.9 cm³; (16)Polarizability: 21.43×10^-24cm³; (17)Surface Tension: 62.4 dyne/cm; (18)Density: 1.766 g/cm³; (19)Flash Point: 211.5 °C; (20)Enthalpy of Vaporization: 65.45 kJ/mol; (21)Boiling Point: 426.1 °C at 760 mmHg; (22)Vapour Pressure: 4.53E-07 mmHg at 25°C.

Uses of 1H-Benzimidazole,5-bromo-2-(chloromethyl)-: it can be used to produce [(5-bromo-1H-benzoimidazol-2-ylmethyl)-carboxymethyl-amino]-acetic acid by heating. It will need reagent potassium carbonate and solvent ethyl acetate with the reaction time of 3 hours. The yield is about 63%.

1H-Benzimidazole,5-bromo-2-(chloromethyl)- can be used to produce [(5-bromo-1H-benzoimidazol-2-ylmethyl)-carboxymethyl-amino]-acetic acid by heating

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2nc(CCl)nc2c1
(2)InChI: InChI=1/C8H6BrClN2/c9-5-1-2-6-7(3-5)12-8(4-10)11-6/h1-3H,4H2,(H,11,12)
(3)InChIKey: OWLMBJLZMJBNQJ-UHFFFAOYAY

Product Name

5-bromo-2-(chloromethyl)-1H-benzo[d]imidazole

1H-Benzimidazole,5-bromo-2-(chloromethyl)- Specification

Related Products

Hot Products