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| CAS No.: | 916791-07-6 |
|---|---|
| Name: | 2-Bromo-6-chloropyrazine |
| Molecular Structure: | |
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| Formula: | C4H2BrClN2 |
| Molecular Weight: | 193.43 |
| Synonyms: | RW3279;2-bromanyl-6-chloranyl-pyrazine;CS30; |
| Density: | 1.859 g/cm3 |
| Boiling Point: | 210.5 °C at 760 mmHg |
| Flash Point: | 81.1 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 25.78000 |
| LogP: | 1.89250 |
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Specification
This product is an organic compound with the formula C4H2BrClN2. The systematic name of this chemical is 2-bromo-6-chloropyrazine. With the CAS registry number 916791-07-6, it is also named as pyrazine, 2-bromo-6-chloro-.
The other characteristics of 2-Bromo-6-chloropyrazine can be summarized as: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 10.54; (6)ACD/BCF (pH 7.4): 10.54; (7)ACD/KOC (pH 5.5): 187.81; (8)ACD/KOC (pH 7.4): 187.81; (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: 1.588; (14)Molar Refractivity: 35.02 cm3; (15)Molar Volume: 104 cm3; (16)Polarizability: 13.88×10-24 cm3; (17)Surface Tension: 53.9 dyne/cm; (18)Density: 1.859 g/cm3; (19)Flash Point: 81.1 °C; (20)Enthalpy of Vaporization: 42.85 kJ/mol; (21)Boiling Point: 210.5 °C at 760 mmHg; (22)Vapour Pressure: 0.278 mmHg at 25°C
People can use the following data to convert to the molecule structure.
1. SMILES:Clc1cncc(Br)n1
2. InChI:InChI=1/C4H2BrClN2/c5-3-1-7-2-4(6)8-3/h1-2H
3. InChIKey:UZAXEXBMDHIXNU-UHFFFAOYAV
4. Std. InChI:InChI=1S/C4H2BrClN2/c5-3-1-7-2-4(6)8-3/h1-2H
5. Std. InChIKey:UZAXEXBMDHIXNU-UHFFFAOYSA-N