Basic Information | Post buying leads | Suppliers |
Name |
2-Bromo-6-fluoropyrazine |
EINECS | N/A |
CAS No. | 1209458-12-7 | Density | 1.838 g/cm3 |
PSA | 25.78000 | LogP | 1.37820 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H2BrFN2 | Boiling Point | 176.477 °C at 760 mmHg |
Molecular Weight | 176.976 | Flash Point | 60.532 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
I03-0376; |
The IUPAC name of this chemical is 2-Bromo-6-fluoropyrazine. The CAS registry number is 1209458-12-7. In addition, the molecular formula is C4H2BrFN2 and the molecular weight is 176.97. It should be stored in a cool and dry place.
Physical properties of 2-Bromo-6-fluoropyrazine are: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.018; (4)ACD/LogD (pH 7.4): 1.018; (5)ACD/BCF (pH 5.5): 3.494; (6)ACD/BCF (pH 7.4): 3.494; (7)ACD/KOC (pH 5.5): 85.227; (8)ACD/KOC (pH 7.4): 85.227; (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: 1.538; (14)Molar Refractivity: 30.119 cm3; (15)Molar Volume: 96.275 cm3; (16)Polarizability: 11.94×10-24cm3; (17)Surface Tension: 47.833 dyne/cm; (18)Density: 1.838 g/cm3; (19)Flash Point: 60.532 °C; (20)Enthalpy of Vaporization: 39.585 kJ/mol; (21)Boiling Point: 176.477 °C at 760 mmHg; (22)Vapour Pressure: 1.467 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(nc(cn1)Br)F
(2)InChI: InChI=1/C4H2BrFN2/c5-3-1-7-2-4(6)8-3/h1-2H
(3)InChIKey: ZUNRJFKRWLCVSX-UHFFFAOYAI