Name: 2-(phenoxymethyl)-1H-benzimidazole hydrochloride
SKU: 6637-29-2

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Basic Information

Molecular Structure:
CAS No.:	6637-29-2
Name:	2-(phenoxymethyl)-1H-benzimidazole hydrochloride
Article Data:	11

Formula:	C₁₄H₁₂N₂O
Molecular Weight:	224.262
Synonyms:	Benzimidazole,2-(phenoxymethyl)- (8CI);2-(Phenoxymethyl)-1H-benzimidazole;2-(Phenoxymethyl)benzimidazole;NSC 52089;
Density:	1.247 g/cm³
Boiling Point:	467.7 °C at 760 mmHg
Flash Point:	167.2 °C
PSA:	37.91000
LogP:	3.14190

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Specification

The 1H-Benzimidazole,2-(phenoxymethyl)-, with the CAS registry number 6637-29-2, is also known as 2-(Phenoxymethyl)benzimidazole. This chemical's molecular formula is C₁₄H₁₂N₂O and molecular weight is 224.26. What's more, its systematic name is 2-(phenoxymethyl)-1H-benzimidazole.

Physical properties of 1H-Benzimidazole,2-(phenoxymethyl)- are: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.74; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 57.6; (6)ACD/BCF (pH 7.4): 136.32; (7)ACD/KOC (pH 5.5): 493.4; (8)ACD/KOC (pH 7.4): 1167.76; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.05 Å²; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 67.78 cm³; (15)Molar Volume: 179.7 cm³; (16)Polarizability: 26.87×10^-24cm³; (17)Surface Tension: 56.8 dyne/cm; (18)Density: 1.247 g/cm³; (19)Flash Point: 167.2 °C; (20)Enthalpy of Vaporization: 70.18 kJ/mol; (21)Boiling Point: 467.7 °C at 760 mmHg; (22)Vapour Pressure: 1.78E-08 mmHg at 25°C.

Preparation of 1H-Benzimidazole,2-(phenoxymethyl)-: this chemical can be prepared by 1H-benzoimidazole-2-sulfonic acid and phenoxyacetic acid. This reaction will need reagents silver nitrate, ammonium persulfate and solvents H₂O, acetonitrile. The yield is about 65%.

1H-Benzimidazole,2-(phenoxymethyl)- can be prepared by 1H-benzoimidazole-2-sulfonic acid and phenoxyacetic acid

Uses of 1H-Benzimidazole,2-(phenoxymethyl)-: it can be used to produce 2-phenoxy-1-(2-phenoxymethyl-benzoimidazol-1-yl)-ethanone at the ambient temperature. It will need reagents potassium carbonate, polyethylene glycol-400 and solvent acetonitrile with the reaction time of 2 hours. The yield is about 82%.

1H-Benzimidazole,2-(phenoxymethyl)- can be used to produce 2-phenoxy-1-(2-phenoxymethyl-benzoimidazol-1-yl)-ethanone at the ambient temperature

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccccc1)Cc3nc2ccccc2n3
(2)InChI: InChI=1S/C14H12N2O/c1-2-6-11(7-3-1)17-10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16)
(3)InChIKey: XATKRQREMKIRLA-UHFFFAOYSA-N