CAS No.17374-26-4,4,5,6,7-TETRABROMOBENZOTRIAZOLE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	17374-26-4
Name:	4,5,6,7-TETRABROMOBENZOTRIAZOLE
Article Data:	5

Formula:	C₆HBr₄N₃
Molecular Weight:	434.71
Synonyms:	Benzotriazole,4,5,6,7-tetrabromo- (6CI,7CI);4,5,6,7-Tetrabromo-1H-benzotriazole;4,5,6,7-Tetrabromobenzotriazole;NSC 231634;TBB (enzyme inhibitor);
Density:	2.84 g/cm³
Melting Point:	262-266°C
Boiling Point:	490.5 °C at 760 mmHg
Flash Point:	250.5 °C
Solubility:	DMSO: 28 mg/mL
Appearance:	Crystalline Solid
PSA:	41.57000
LogP:	4.00790

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Specification

The 4,5,6,7-tetrabromo-2-azabenzimidazole, with CAS registry number 17374-26-4, belongs to the following product categories: (1)Protein Kinase Inhibitors and Activators; (2)Protein Kinase. It has the systematic name of 4,5,6,7-tetrabromo-2H-benzotriazole. This chemical is a kind of crystalline solid. It should be stored at the temperature of 2-8°C. And the chemical formula of this chemical is C₆HBr₄N₃.

Physical properties of 4,5,6,7-tetrabromo-2-azabenzimidazole: (1)ACD/LogP: 3.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.2; (4)ACD/LogD (pH 7.4): 1.92; (5)ACD/BCF (pH 5.5): 115.89; (6)ACD/BCF (pH 7.4): 6.17; (7)ACD/KOC (pH 5.5): 721.09; (8)ACD/KOC (pH 7.4): 38.41; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.71 Å²; (13)Index of Refraction: 1.8; (14)Molar Refractivity: 65.47 cm³; (15)Molar Volume: 153 cm³; (16)Polarizability: 25.95×10^-24cm³; (17)Surface Tension: 82.2 dyne/cm; (18)Density: 2.84 g/cm³; (19)Flash Point: 250.5 °C; (20)Enthalpy of Vaporization: 75.71 kJ/mol; (21)Boiling Point: 490.5 °C at 760 mmHg; (22)Vapour Pressure: 9.08E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(Br)c(Br)c(Br)c2nnnc12
(2)InChI: InChI=1/C6HBr4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13)
(3)InChIKey: OMZYUVOATZSGJY-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6HBr4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13)
(5)Std. InChIKey: OMZYUVOATZSGJY-UHFFFAOYSA-N