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CAS No.: | 42754-96-1 |
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Name: | 4,6-DICHLORO-1H-PYRAZOLO[3,4-D]PYRIMIDINE |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C5H2Cl2N4 |
Molecular Weight: | 189.004 |
Synonyms: | 4,6-Dichloropyrazolo[3,4-d]pyrimidine; |
EINECS: | 948-193-9 |
Density: | 1.792 g/cm3 |
Melting Point: | 145 °C (decomp) |
Boiling Point: | 251.9±50.0 °C(Predicted) |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 45-24/25 |
PSA: | 54.46000 |
LogP: | 1.65970 |
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The 4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine with the cas number 42754-96-1, is also called 4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine and 1H-Pyrazolo[3,4-d]pyrimidine, 4,6-dichloro-. It belongs to the following product categories: (1)Chiral chemicals; (2)Building Blocks; (3)Pyrazolo[x,x-y]pyridine. And it should be stored at a cool environment.
Physical properties about this chemical are: (1)ACD/LogP: 1.69 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 1.688 ; (4)ACD/LogD (pH 7.4): 1.46 ; (5)ACD/BCF (pH 5.5): 11.276 ; (6)ACD/BCF (pH 7.4): 6.673 ; (7)ACD/KOC (pH 5.5): 196.627 ; (8)ACD/KOC (pH 7.4): 116.357 ; (9)#H bond acceptors: 4 ; (10)#H bond donors: 1 ; (11)#Freely Rotating Bonds: 0 ; (12)Polar Surface Area: 54.46 Å2 ; (13)Index of Refraction: 1.742 ; (14)Molar Refractivity: 42.592 cm3 ; (15)Molar Volume: 105.444 cm3 ; (16)Polarizability: 16.885 ×10-24cm3 ; (17)Surface Tension: 90.128 dyne/cm ; (18)Density: 1.792 g/cm3
You can still convert the following datas into molecular structure :
(1) SMILES: c1c2c([nH]n1)nc(nc2Cl)Cl
(2) InChI:InChI=1/C5H2Cl2N4/c6-3-2-1-8-11-4(2)10-5(7)9-3/h1H,(H,8,9,10,11)