Name: 2,5,6-TRICHLORO-1H-BENZIMIDAZOLE
SKU: 16865-11-5

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Basic Information

Molecular Structure:
CAS No.:	16865-11-5
Name:	2,5,6-TRICHLORO-1H-BENZIMIDAZOLE
Article Data:	21

Formula:	C₇H₃Cl₃N₂
Molecular Weight:	221.473
Synonyms:	2,5,6-Trichloro-1H-benzimidazole;NSC 143683;Benzimidazole,2,5,6-trichloro- (6CI,8CI);
Density:	1.691g/cm³
Boiling Point:	399.3 °C at 760 mmHg
Flash Point:	227.6 °C
PSA:	28.68000
LogP:	3.52310

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Specification

The 1H-Benzimidazole,2,5,6-trichloro-, with CAS registry number 16865-11-5, has the systematic name of 2,5,6-trichloro-1H-benzimidazole. Besides this, it is also called 2,5,6-Trichlorobenzimidazole. And the chemical formula of this chemical is C₇H₃Cl₃N₂.

Physical properties of 1H-Benzimidazole,2,5,6-trichloro-: (1)ACD/LogP: 4.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.98; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 600.26; (6)ACD/BCF (pH 7.4): 59.48; (7)ACD/KOC (pH 5.5): 3259.56; (8)ACD/KOC (pH 7.4): 322.97; (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: 1.712; (14)Molar Refractivity: 51.3 cm³; (15)Molar Volume: 130.9 cm³; (16)Polarizability: 20.33×10^-24cm³; (17)Surface Tension: 65.4 dyne/cm; (18)Density: 1.691 g/cm³; (19)Flash Point: 227.6 °C; (20)Enthalpy of Vaporization: 65 kJ/mol; (21)Boiling Point: 399.3 °C at 760 mmHg; (22)Vapour Pressure: 1.39E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc1c(nc(Cl)n1)cc2Cl
(2)InChI: InChI=1/C7H3Cl3N2/c8-3-1-5-6(2-4(3)9)12-7(10)11-5/h1-2H,(H,11,12)
(3)InChIKey: SUQYOUJCBGMSLV-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C7H3Cl3N2/c8-3-1-5-6(2-4(3)9)12-7(10)11-5/h1-2H,(H,11,12)
(5)Std. InChIKey: SUQYOUJCBGMSLV-UHFFFAOYSA-N