2-(2-Chloroethyl)benzimidazole supplier

Name
2-(2-Chloroethyl)benzimidazole
EINECS
CAS No. 405173-97-9
Article Data8
CAS DataBase
Density 1.297 g/cm³
Solubility
Melting Point
Formula C₉H₉ClN₂
Boiling Point 387.696 °C at 760 mmHg
Molecular Weight 180.637
Flash Point 220.369 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(2-Chloroethyl)-1H-benzimidazole;
PSA 28.68000
LogP 2.34420

2-(2-Chloroethyl)benzimidazole Specification

This chemical is called 2-(2-Chloroethyl)benzimidazole, and its IUPAC name is 2-(2-chloroethyl)-1H-benzimidazole. With the molecular formula of C₉H₉ClN₂, its molecular weight is 180.63. The CAS registry number of this chemical is 405173-97-9, and its product category is Benzimidazole.

Other characteristics of the 2-(2-Chloroethyl)benzimidazole can be summarised as followings: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 24; (7)ACD/KOC (pH 5.5): 79; (8)ACD/KOC (pH 7.4): 333; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 28.68 Å²; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 51.018 cm³; (15)Molar Volume: 139.297 cm³; (16)Polarizability: 20.225×10^-24cm³; (17)Surface Tension: 55.321 dyne/cm; (18)Density: 1.297 g/cm³; (19)Flash Point: 220.369 °C; (20)Enthalpy of Vaporization: 61.19 kJ/mol; (21)Boiling Point: 387.696 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCc1nc2ccccc2n1
(2)InChI: InChI=1/C9H9ClN2/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)
(3)InChIKey: TUGGOLWUZCCVBF-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H9ClN2/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)
(5)Std. InChIKey: TUGGOLWUZCCVBF-UHFFFAOYSA-N

Product Name

2-(2-Chloroethyl)benzimidazole

2-(2-Chloroethyl)benzimidazole Specification

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