CAS No.39791-96-3,2-CHLORO-5,6-DIMETHYLBENZIMIDAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	39791-96-3
Name:	2-CHLORO-5,6-DIMETHYLBENZIMIDAZOLE
Article Data:	7

Formula:	C₉H₉ClN₂
Molecular Weight:	180.637
Synonyms:	Benzimidazole,2-chloro-5,6-dimethyl- (7CI);2-Chloro-5,6-dimethyl-1H-benzimidazole;NSC 122333;
Density:	1.294 g/cm³
Boiling Point:	358.1 °C at 760 mmHg
Flash Point:	201.6 °C
PSA:	28.68000
LogP:	2.83310

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Specification

The CAS register number of 1H-Benzimidazole,2-chloro-5,6-dimethyl- is 39791-96-3. It also can be called as 2-chloro-5,6-dimethylbenzimidazole and the IUPAC name about this chemical is 2-chloro-5,6-dimethyl-1H-benzimidazole. The molecular formula about this chemical is C₉H₉ClN₂ and the molecular weight is 180.63. It belongs to the Benzimidazole.

Physical properties about 1H-Benzimidazole,2-chloro-5,6-dimethyl- are: (1)ACD/LogP: 2.77; (2)ACD/LogD (pH 5.5): 2.726; (3)ACD/LogD (pH 7.4): 2.766; (4)ACD/BCF (pH 5.5): 67.935; (5)ACD/BCF (pH 7.4): 74.459; (6)ACD/KOC (pH 5.5): 693.646; (7)ACD/KOC (pH 7.4): 760.258; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 28.68Å²; (11)Index of Refraction: 1.654; (12)Molar Refractivity: 51.165 cm³; (13)Molar Volume: 139.596 cm³; (14)Polarizability: 20.283x10^-24cm³; (15)Surface Tension: 52.642 dyne/cm; (16)Flash Point: 201.609 °C; (17)Enthalpy of Vaporization: 60.35 kJ/mol; (18)Boiling Point: 358.056 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc2c(cc1C)nc([nH]2)Cl
(2)InChI: InChI=1/C9H9ClN2/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H,11,12)
(3)InChIKey: LTWREDHXPZYJOA-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C9H9ClN2/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H,11,12)
(5)Std. InChIKey: LTWREDHXPZYJOA-UHFFFAOYSA-N