5-Chloro-2-chloromethyl-1H-benzoimidazole supplier

Name
5-Chloro-2-chloromethyl-1H-benzoimidazole
EINECS 604-604-1
CAS No. 20443-38-3
Article Data20
CAS DataBase
Density 1.492g/cm³
Solubility
Melting Point 140 °C
Formula C₈H₆Cl₂N₂
Boiling Point 404.6 °C at 760 mmHg
Molecular Weight 201.055
Flash Point 230.9 °C
Transport Information
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Molecular Structure
Hazard Symbols
Synonyms 1H-Benzimidazole,5-chloro-2-(chloromethyl)- (9CI);Benzimidazole, 5(or6)-chloro-2-(chloromethyl)- (6CI,7CI);Benzimidazole,5-chloro-2-(chloromethyl)- (8CI);5-Chloro-2-(chloromethyl)benzimidazole;NSC114752;
PSA 28.68000
LogP 2.95510

5-Chloro-2-chloromethyl-1H-benzoimidazole Specification

The 5-Chloro-2-chloromethyl-1H-benzoimidazole, with CAS registry number 20443-38-3, has the systematic name of 6-chloro-2-(chloromethyl)-1H-benzimidazole. Besides this, it is also called 5-Chloro-2-(chloromethyl)-1H-benzo[d]imidazole. And the chemical formula of this chemical is C₈H₆Cl₂N₂.

Physical properties of 5-Chloro-2-chloromethyl-1H-benzoimidazole: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 29.33; (6)ACD/BCF (pH 7.4): 30.2; (7)ACD/KOC (pH 5.5): 387.17; (8)ACD/KOC (pH 7.4): 398.68; (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: 1.686; (14)Molar Refractivity: 51.28 cm³; (15)Molar Volume: 134.7 cm³; (16)Polarizability: 20.32×10^-24cm³; (17)Surface Tension: 60.6 dyne/cm; (18)Density: 1.492 g/cm³; (19)Flash Point: 230.9 °C; (20)Enthalpy of Vaporization: 63.05 kJ/mol; (21)Boiling Point: 404.6 °C at 760 mmHg; (22)Vapour Pressure: 2.19E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc1c(nc(n1)CCl)cc2
(2)InChI: InChI=1/C8H6Cl2N2/c9-4-8-11-6-2-1-5(10)3-7(6)12-8/h1-3H,4H2,(H,11,12)
(3)InChIKey: CJNALUZDTPETCS-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H6Cl2N2/c9-4-8-11-6-2-1-5(10)3-7(6)12-8/h1-3H,4H2,(H,11,12)
(5)Std. InChIKey: CJNALUZDTPETCS-UHFFFAOYSA-N

Product Name

5-Chloro-2-chloromethyl-1H-benzoimidazole

5-Chloro-2-chloromethyl-1H-benzoimidazole Specification

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