Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4,5,6,7-tetrabromo-2-azabenzimidazole |
EINECS | N/A |
CAS No. | 17374-26-4 | Density | 2.84 g/cm3 |
PSA | 41.57000 | LogP | 4.00790 |
Solubility | DMSO: 28 mg/mL | Melting Point |
262-266°C |
Formula | C6HBr4N3 | Boiling Point | 490.5 °C at 760 mmHg |
Molecular Weight | 434.71 | Flash Point | 250.5 °C |
Transport Information | N/A | Appearance | Crystalline Solid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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); |
Article Data | 5 |
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