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Cas Database |
| Name |
3-Bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine |
EINECS | N/A |
| CAS No. | 114040-06-1 | Density | 2.162 g/cm3 |
| PSA | 30.19000 | LogP | 2.79860 |
| Solubility | N/A | Melting Point |
73-75 °C |
| Formula | C6H2BrCl2N3 | Boiling Point | N/A |
| Molecular Weight | 266.91 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3-Bromo-5,7-dichloro-pyrazolo[1,5-a]pyrimidine; Pyrazolo[1,5-a]pyrimidine,3-bromo-5,7-dichloro; |
Article Data | 12 |
3-Bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine Specification
The 3-Bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine, with CAS registry number 114040-06-1, belongs to the following product category: API intermediates. It has the systematic name of 3-bromo-5,7-dichloro-pyrazolo[1,5-a]pyrimidine. And the chemical formula of this chemical is C6H2BrCl2N3.
Physical properties of 3-Bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine: (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.313; (4)ACD/LogD (pH 7.4): 3.313; (5)ACD/BCF (pH 5.5): 194.046; (6)ACD/BCF (pH 7.4): 194.046; (7)ACD/KOC (pH 5.5): 1511.09; (8)ACD/KOC (pH 7.4): 1511.09; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.19 Å2; (13)Index of Refraction: 1.782; (14)Molar Refractivity: 51.916 cm3; (15)Molar Volume: 123.469 cm3; (16)Polarizability: 20.581×10-24cm3; (17)Surface Tension: 65.534 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(nc2c(cnn2c1Cl)Br)Cl
(2)InChI: InChI=1/C6H2BrCl2N3/c7-3-2-10-12-5(9)1-4(8)11-6(3)12/h1-2H
(3)InChIKey: CJIKMWXLGRVJMI-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C6H2BrCl2N3/c7-3-2-10-12-5(9)1-4(8)11-6(3)12/h1-2H
(5)Std. InChIKey: CJIKMWXLGRVJMI-UHFFFAOYSA-N
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