4-Iodo-1H-benzimidazole supplier

Name
4-Iodo-1H-benzimidazole
EINECS
CAS No. 51288-04-1
Article Data5
CAS DataBase
Density 2.082 g/cm³
Solubility
Melting Point 188-189 °C
Formula C₇H₅IN₂
Boiling Point 438.5 °C at 760 mmHg
Molecular Weight 244.035
Flash Point 219 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Iodobenzimidazole;
PSA 28.68000
LogP 2.16750

4-Iodo-1H-benzimidazole Specification

The systematic name of this chemical is 4-iodo-1H-benzimidazole. With the CAS registry number 51288-04-1, it is also named as 4-Iodobenzimidazole. The product's category is Pharmacetical. In addition, the formula is C₇H₅IN₂ and the molecular weight is 244.03.

The other characteristics of 4-Iodo-1H-benzimidazole can be summarized as: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 2.1; (5)ACD/BCF (pH 5.5): 4.88; (6)ACD/BCF (pH 7.4): 22.86; (7)ACD/KOC (pH 5.5): 68.79; (8)ACD/KOC (pH 7.4): 322.39; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å²; (13)Index of Refraction: 1.787; (14)Molar Refractivity: 49.52 cm³; (15)Molar Volume: 117.1 cm³; (16)Polarizability: 19.63×10^-24 cm³; (17)Surface Tension: 71.2 dyne/cm; (18)Density: 2.082 g/cm³; (19)Flash Point: 219 °C; (20)Enthalpy of Vaporization: 66.84 kJ/mol; (21)Boiling Point: 438.5 °C at 760 mmHg; (22)Vapour Pressure: 1.77E-07 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:Ic1cccc2ncnc12
2. InChI:InChI=1/C7H5IN2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,(H,9,10)
3. InChIKey:MOYBHUHLLQSMNP-UHFFFAOYAI
4. Std. InChI:InChI=1S/C7H5IN2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,(H,9,10)
5. Std. InChIKey:MOYBHUHLLQSMNP-UHFFFAOYSA-N

Product Name

4-Iodo-1H-benzimidazole

4-Iodo-1H-benzimidazole Specification

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