2-(2-Bromoethyl)benzoimidazole supplier

Name
2-(2-Bromoethyl)benzoimidazole
EINECS
CAS No. 4078-54-0
Article Data4
CAS DataBase
Density 1.595 g/cm³
Solubility
Melting Point
Formula C₉H₉BrN₂
Boiling Point 401.8 °C at 760 mmHg
Molecular Weight 225.088
Flash Point 196.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(b-Bromoethyl)benzimidazole;Benzimidazole,2-(2-bromoethyl)- (7CI,8CI);
PSA 28.68000
LogP 2.50030

2-(2-Bromoethyl)benzoimidazole Specification

The IUPAC name of 2-(2-Bromoethyl)benzoimidazole is 2-(2-bromoethyl)-1H-benzimidazole. With the CAS registry number 4078-54-0, it is also named as 2-(2-Bromoethyl)-1H-benzoimidazole. In addition, its molecular formula is C₉H₉BrN₂ and molecular weight is 225.08.

The other characteristics of 2-(2-Bromoethyl)benzoimidazole can be summarized as: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 2.48; (5)H bond acceptors: 2; (6)H bond donors: 1; (7)XLogP3: 2.3; (8)Rotatable Bond Count: 2; (9)Tautomer Count: 2; (10)Exact Mass: 223.994911; (11)MonoIsotopic Mass: 223.994911; (12)Topological Polar Surface Area: 28.7; (13)Heavy Atom Count: 12; (14)Complexity: 152; (15)Freely Rotating Bonds: 2; (16)Polar Surface Area: 28.68 Å²; (17)Index of Refraction: 1.689; (18)Molar Refractivity: 53.9 cm³; (19)Molar Volume: 141 cm³; (20)Polarizability: 21.36×10^-24cm³; (21)Surface Tension: 60.5 dyne/cm; (22)Density: 1.595 g/cm³; (23)Flash Point: 196.8 °C; (24)Enthalpy of Vaporization: 62.75 kJ/mol; (25)Boiling Point: 401.8 °C at 760 mmHg; (26)Vapour Pressure: 2.66E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
SMILES:BrCCc1nc2ccccc2n1
InChI:InChI=1/C9H9BrN2/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)
InChIKey:UVKUFRWLIJUYHS-UHFFFAOYAD
Std. InChI:InChI=1S/C9H9BrN2/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)
Std. InChIKey:UVKUFRWLIJUYHS-UHFFFAOYSA-N

Product Name

2-(2-Bromoethyl)benzoimidazole

2-(2-Bromoethyl)benzoimidazole Specification

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