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| CAS No.: | 865156-68-9 |
|---|---|
| Name: | 6-Bromo-imidazo[1,2-a]pyrimidine |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C6H4BrN3 |
| Molecular Weight: | 198.022 |
| Synonyms: | 6-Bromoimidazo[1,2-a]pyrimidine; |
| Density: | 1.89 g/cm3 |
| Melting Point: | 215-216oC |
| Boiling Point: | 215-216 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26 |
| PSA: | 30.19000 |
| LogP: | 1.49180 |
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Specification
The CAS register number of 6-Bromoimidazo[1,2-a]pyrimidine is 865156-68-9. It also can be called as Imidazo[1,2-a]pyrimidine,6-bromo- and the IUPAC name about this chemical is 6-bromoimidazo[1,2-a]pyrimidine. The molecular formula about this chemical is C6H4BrN3 and the molecular weight is 198.02.
Physical properties about 6-Bromoimidazo[1,2-a]pyrimidine are: (1)ACD/LogP: 1.33; (2)ACD/LogD (pH 5.5): 1.32; (3)ACD/LogD (pH 7.4): 1.33; (4)#H bond acceptors: 3; (5)Polar Surface Area: 30.19Å2; (6)Index of Refraction: 1.751; (7)Molar Refractivity: 42.71 cm3; (8)Molar Volume: 104.6 cm3; (9)Polarizability: 16.93x10-24cm3; (10)Surface Tension: 61.8 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cn2cc(cnc2n1)Br
(2)InChI: InChI=1/C6H4BrN3/c7-5-3-9-6-8-1-2-10(6)4-5/h1-4H
(3)InChIKey: BQMWMOQCMFLRQQ-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C6H4BrN3/c7-5-3-9-6-8-1-2-10(6)4-5/h1-4H
(5)Std. InChIKey: BQMWMOQCMFLRQQ-UHFFFAOYSA-N