9H-Purine, 6-bromo- (767-69-1)

The 6-Bromopurine with the CAS number 767-69-1 is also called 9H-Purine, 6-bromo-. Both the systematic name and IUPAC name are 6-bromo-7H-purine. Its molecular formula is C₅H₃BrN₄. The molecular formula is 212-187-8. This chemical belongs to the following product categories: (1)Purines; (2)Building Blocks; (3)Halogenated Heterocycles; (4)Heterocyclic Building Blocks; (5)PurinesHeterocyclic Building Blocks.

The properties of the 6-Bromopurine are: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.54; (4)ACD/LogD (pH 7.4): 0.41; (5)ACD/BCF (pH 5.5): 1.53; (6)ACD/BCF (pH 7.4): 1.11; (7)ACD/KOC (pH 5.5): 47.02; (8)ACD/KOC (pH 7.4): 34.14; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.6 Å²; (13)Index of Refraction: 1.767; (14)Molar Refractivity: 40.49 cm³; (15)Molar Volume: 97.7 cm³; (16)Polarizability: 16.05×10^-24cm³; (17)Surface Tension: 93.2 dyne/cm; (18)Enthalpy of Vaporization: 70.76 kJ/mol; (19)Vapour Pressure: 1.19×10^-8 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ncnc2ncnc12
(2)InChI: InChI=1/C5H3BrN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
(3)InChIKey: CTGFGRDVWBZYNB-UHFFFAOYAU

The toxicity data is as follows: