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CAS No.: | 633328-88-8 |
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Name: | 3-bromo-1H-pyrazolo[4,3-c]pyridine |
Molecular Structure: | |
Formula: | C6H4BrN3 |
Molecular Weight: | 198.022 |
Synonyms: | 3-bromo-1H-pyrazolo[4,3-c]pyridine; |
Density: | 1.894 g/cm3 |
Boiling Point: | 378.6 °C at 760 mmHg |
Flash Point: | 182.8 °C |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 41.57000 |
LogP: | 1.72040 |
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The CAS register number of 1H-Pyrazolo[4,3-c]pyridine,3-bromo- is 633328-88-8. The systematic name about this chemical is 3-bromo-1H-pyrazolo[4,3-c]pyridine. The molecular formula about this chemical is C6H4BrN3 and the molecular weight is 198.0201. It belongs to the following product categorie which include Chiral chemicals.
Physical properties about 1H-Pyrazolo[4,3-c]pyridine,3-bromo- are: (1)ACD/LogP: 1.10; (2)ACD/LogD (pH 5.5): 0.85; (3)ACD/LogD (pH 7.4): 1.09; (4)#H bond acceptors: 3; (5)#H bond donors: 1; (6)Polar Surface Area: 41.57 Å2; (7)Index of Refraction: 1.745; (8)Molar Refractivity: 42.4 cm3; (9)Molar Volume: 104.5 cm3; (10)Polarizability: 16.8x10-24cm3; (11)Surface Tension: 76.9 dyne/cm; (12)Density: 1.894 g/cm3; (13)Flash Point: 182.8 °C; (14)Enthalpy of Vaporization: 60.2 kJ/mol; (15)Boiling Point: 378.6 °C at 760 mmHg; (16)Vapour Pressure: 1.35E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cncc2c1[nH]nc2Br
(2)InChI: InChI=1/C6H4BrN3/c7-6-4-3-8-2-1-5(4)9-10-6/h1-3H,(H,9,10)
(3)InChIKey: NUCFNMOPTGEHQA-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H4BrN3/c7-6-4-3-8-2-1-5(4)9-10-6/h1-3H,(H,9,10)
(5)Std. InChIKey: NUCFNMOPTGEHQA-UHFFFAOYSA-N