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2-Bromo-6-fluoropyrazine

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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 Molecular Structure of 1209458-12-7 (2-Bromo-6-fluoropyrazine) Hazard Symbols N/A
Synonyms

I03-0376;

 

2-Bromo-6-fluoropyrazine Specification

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

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