Basic information
- Name:
Pyrazine,2-bromo-3-methyl-
- Superlist Name:
- 2-Bromo-3-methylpyrazine
- CAS No.:
120984-76-1
- Molecular Structure:
- Formula:
- C5H5BrN2
- Molecular Weight:
- 173.01
- Density:
- 1.597 g/cm3
- Boiling Point:
- 194.851 °C at 760 mmHg
- Flash Point:
- 71.644 °C
Famous Chemical Enterprises
-
Livzon -
Total -
Shell -
Dupont -
Exxonmobil -
Akzonobel -
Basf -
Bayer -
BP
Please post your buying leads,so that our qualified suppliers will soon
contact you!
*Required Fields
Specification
The IUPAC name of 2-Bromo-3-methylpyrazine is 2-bromo-3-methylpyrazine. With the CAS registry number 120984-76-1, it is also named as Pyrazine,2-bromo-3-methyl-. The product's molecular formula is C5H5BrN2 and its molecular weight is 173.01.
The other characteristics of 2-Bromo-3-methylpyrazine can be summarized as: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.186; (4)ACD/LogD (pH 7.4): 1.186; (5)ACD/BCF (pH 5.5): 4.691; (6)ACD/BCF (pH 7.4): 4.691; (7)ACD/KOC (pH 5.5): 105.228; (8)ACD/KOC (pH 7.4): 105.229; (9)H bond acceptors: 2; (10)H bond donors: 0; (11)Freely Rotating Bonds: 0; (12)XLogP3-AA: 1.2; (13)Rotatable Bond Count: 0; (14)Exact Mass: 171.963611; (15)MonoIsotopic Mass: 171.963611; (16)Heavy Atom Count: 8; (17)Complexity: 76.8; (18)Polar Surface Area: 25.78 Å2; (19)Index of Refraction: 1.558; (20)Molar Refractivity: 34.95 cm3; (21)Molar Volume: 108.341 cm3; (22)Polarizability: 13.855×10-24cm3; (23)Surface Tension: 47.025 dyne/cm; (24)Density: 1.597 g/cm3; (25)Flash Point: 71.644 °C; (26)Enthalpy of Vaporization: 41.341 kJ/mol; (27)Boiling Point: 194.851 °C at 760 mmHg; (28)Vapour Pressure: 0.605 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
SMILES:Cc1c(nccn1)Br
InChI:InChI=1/C5H5BrN2/c1-4-5(6)8-3-2-7-4/h2-3H,1H3
InChIKey:NDBBGCAETKIKIC-UHFFFAOYAQ
