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CAS No.: | 622392-04-5 |
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Name: | 2-BROMO-5-IODOPYRAZINE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C4H2BrIN2 |
Molecular Weight: | 284.882 |
Synonyms: | 2-Bromo-5-iodopyrazine;5-Bromo-2-iodopyrazine; |
EINECS: | 201-903-5 |
Density: | 2.496 g/cm3 |
Melting Point: | 95-97 °C |
Boiling Point: | 273.708 °C at 760 mmHg |
Flash Point: | 119.335 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26 |
PSA: | 25.78000 |
LogP: | 1.84370 |
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The Pyrazine,2-bromo-5-iodo-, with the CAS registry number of 622392-04-5, is also known as 2-Iodo-5-bromo pyrazine. It belongs to the product categories of Halides; Pyrazines, Pyrimidines & Pyridazines; API Intermediates; Pyrazines, Pyrimidines & Pyridazines; Building Blocks; Pyrazine. This chemical's molecular formula is C4H2BrIN2 and molecular weight is 284.88. What's more, its IUPAC name is 2-Bromo-5-iodopyrazine.
Physical properties about Pyrazine,2-bromo-5-iodo- are: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 11; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 5.5): 198; (8)ACD/KOC (pH 7.4): 198; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.678; (14)Molar Refractivity: 43.032 cm3; (15)Molar Volume: 114.139 cm3; (16)Polarizability: 17.059×10-24 cm3; (17)Surface Tension: 63.086 dyne/cm; (18)Density: 2.496 g/cm3; (19)Flash Point: 119.335 °C; (20)Enthalpy of Vaporization: 49.146 kJ/mol; (21)Boiling Point: 273.708 °C at 760 mmHg; (22)Vapour Pressure: 0.009 mmHg at 25 °C; (23)Melting Point: 95-97 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1c(ncc(n1)I)Br
(2) InChI: InChI=1/C4H2BrIN2/c5-3-1-8-4(6)2-7-3/h1-2H
(3) InChIKey: OHTQHZVNZWWYFD-UHFFFAOYAQ