1H-Benzimidazole,2-(dichloromethyl)- supplier

Name
2-(DICHLOROMETHYL)BENZIMIDAZOLETHIOL
EINECS 226-773-6
CAS No. 5466-57-9
Article Data8
CAS DataBase
Density 1.49 g/cm³
Solubility
Melting Point
Formula C₈H₆Cl₂N₂
Boiling Point 360.2 °C at 760 mmHg
Molecular Weight 201.055
Flash Point 203 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 26308;2-(Dichloromethyl)benzimidazole;Benzimidazole,2-(dichloromethyl)- (6CI,8CI);
PSA 28.68000
LogP 3.03910

1H-Benzimidazole,2-(dichloromethyl)- Specification

The 1H-Benzimidazole,2-(dichloromethyl)-, with CAS registry number 5466-57-9, has the systematic name of 2-(dichloromethyl)-1H-benzimidazole. Besides this, it is also called 2-(Dichloromethyl)benzimidazolethiol. And the chemical formula of this chemical is C₈H₆Cl₂N₂. What's more, its EINECS is 226-773-6.

Physical properties of 1H-Benzimidazole,2-(dichloromethyl)-: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 30.76; (6)ACD/BCF (pH 7.4): 32.35; (7)ACD/KOC (pH 5.5): 398.32; (8)ACD/KOC (pH 7.4): 418.98; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 51.23 cm³; (15)Molar Volume: 134.9 cm³; (16)Polarizability: 20.31×10^-24cm³; (17)Surface Tension: 61 dyne/cm; (18)Density: 1.49 g/cm³; (19)Flash Point: 203 °C; (20)Enthalpy of Vaporization: 58.2 kJ/mol; (21)Boiling Point: 360.2 °C at 760 mmHg; (22)Vapour Pressure: 4.69E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)c2nc1ccccc1n2
(2)InChI: InChI=1/C8H6Cl2N2/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4,7H,(H,11,12)
(3)InChIKey: XIIOQTJSDMWKQQ-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H6Cl2N2/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4,7H,(H,11,12)
(5)Std. InChIKey: XIIOQTJSDMWKQQ-UHFFFAOYSA-N

Product Name

2-(DICHLOROMETHYL)BENZIMIDAZOLETHIOL

1H-Benzimidazole,2-(dichloromethyl)- Specification

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