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4857-06-1

Basic Information
CAS No.: 4857-06-1
Name: 2-Chlorobenzimidazole
Article Data: 33
Molecular Structure:
Molecular Structure of 4857-06-1 (2-Chlorobenzimidazole)
Formula: C7H5ClN2
Molecular Weight: 152.583
Synonyms: Benzimidazole,2-chloro- (6CI,7CI,8CI);2-Chloro-1H-benzimidazole;2-Chlorobenzimidazole;NSC111358;2-Chloro-1H-benzimidazole;1H-Benzimidazole, 2-chloro-;
EINECS: 225-453-3
Density: 1.425 g/cm3
Melting Point: 207-211 °C(lit.)
Boiling Point: 328.5 °C at 760 mmHg
Flash Point: 182.5 °C
Solubility: Insoluble in water.
Appearance: beige to brown crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 28.68000
LogP: 2.21630
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    4857-06-1 Application:intermediate

    SAGECHEM is a chemical R&D, manufacturing and distribution company since 2009, including pharmaceutical intermediates, agrochemical, dyestuff intermediates, organosilicone, API and

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  • 2-Chlorobenzimidazole

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    4857-06-1

    2-Chlorobenzimidazole

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    Appearance:white to offwhite powder

    HUNAN CHEMAPI BIOLOGICAL TECHNOLOGY CO.,LTD. is a professional pharmaceutical chemical technology company. Company by the number in the chemical, pharmaceutical industry has exten

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  • 2-Chloro-1H-benzoimidazole

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    4857-06-1

    2-Chloro-1H-benzoimidazole

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    R & D enterprises have their own stock in stockAppearance:To be subject to the object Package:Customized Application:pharmaceutical intermediates Transportation:Air Port:Shanghai;Guangzhou

    Hunan Runhui Chem Co., Ltd. is a comprehensive Fine chemicals and Pharmaceuticals Intermediates supplier in China , Established in 2018 and located in Changsha City of Hunan provi

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  • 2-Chlorobenzimidazole

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    4857-06-1

    2-Chlorobenzimidazole

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    good quality, competitive price, thoughtful after sale serviceAppearance:white powder Storage:Keep it in dry,shady and cool place Package:5g Application:Pharma;Industry;Agricultural;chemical reaserch Transportation:by express or by sea Port:Any port

    Shanghai Yuanye Bio-Technology Co., Ltd. is a comprehensive enterprise of life science, specializing in the research, development and sales of biochemical reagents, analytical stan

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Specification

The 2-Chlorobenzimidazole, with the CAS registry number 4857-06-1 and EINECS registry number 225-453-3, has the systematic name and IUPAC name of 2-chloro-1H-benzimidazole. And the molecular formula of this chemical is C7H5ClN2. It is a kind of beige to brown crystalline powder which is also sensitive and moisture, and belongs to the following product categories: Benzimidazole; Pharmaceutical Intermediates; Imidazol & Benzimidazole; (Intermediates of norastemizole HCl); Benzimidazoles; Benzimidazoles Heterocyclic Building Blocks; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks. What's more, it is often used as intermediate of cerebral nerve drugs.

The physical properties of 2-Chlorobenzimidazole are as following: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 51.18; (6)ACD/BCF (pH 7.4): 53.07; (7)ACD/KOC (pH 5.5): 573.31; (8)ACD/KOC (pH 7.4): 594.46; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.703; (14)Molar Refractivity: 41.51 cm3; (15)Molar Volume: 107 cm3; (16)Polarizability: 16.45×10-24cm3; (17)Surface Tension: 62.2 dyne/cm; (18)Density: 1.425 g/cm3; (19)Flash Point: 182.5 °C; (20)Enthalpy of Vaporization: 57.09 kJ/mol; (21)Boiling Point: 328.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000188 mmHg at 25°C.

Preparation of 2-Chlorobenzimidazole: This chemical can be prepared by 1,3-dihydro-benzoimidazol-2-one. The reaction will need reagent phosphoryl chloride. The reaction time is 2 hours with heating, and the yield is about 45%. 

2-Chlorobenzimidazole can be prepared by 1,3-dihydro-benzoimidazol-2-one

Uses of 2-Chlorobenzimidazole: It can react with chloromethyl-thiirane to produce 2-chloro-1-thietan-3-yl-1H-benzoimidazole. This reaction will need reagent KOH, and the solvent H2O. The reaction time is 3 hours with temperature of 60°C, and the yield is about 73%.

2-Chlorobenzimidazole can react with chloromethyl-thiirane to produce 2-chloro-1-thietan-3-yl-1H-benzoimidazole

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nc1ccccc1n2
(2)InChI: InChI=1/C7H5ClN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)
(3)InChIKey: AYPSHJCKSDNETA-UHFFFAOYAR