2-Bromo-6-methylpyrazine supplier

Name
2-Bromo-6-methylpyrazine
EINECS
CAS No. 914452-71-4
Density 1.597 g/cm³
Solubility
Melting Point
Formula C₅H₅BrN₂
Boiling Point 196.347 °C at 760 mmHg
Molecular Weight 173.012
Flash Point 72.549 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromo-6-methyl-pyrazine;SBB054472;ZINC15021818;AKOS005145636;EN000863;
PSA 25.78000
LogP 1.54750

2-Bromo-6-methylpyrazine Specification

The 2-Bromo-6-methylpyrazine with CAS registry number of 914452-71-4 is also known as ZINC15021818. The IUPAC name is 2-Bromo-6-methyl-pyrazine. It belongs to product categories of Halides; Pyrazines, Pyrimidines & Pyridazines. In addition, the formula is C₅H₅BrN₂ and the molecular weight is 173.01.

Physical properties of 2-Bromo-6-methylpyrazine: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.169; (4)ACD/LogD (pH 7.4): 1.169; (5)ACD/BCF (pH 5.5): 4.558; (6)ACD/BCF (pH 7.4): 4.558; (7)ACD/KOC (pH 5.5): 103.083; (8)ACD/KOC (pH 7.4): 103.083; (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: 1.558; (14)Molar Refractivity: 34.95 cm³; (15)Molar Volume: 108.341 cm³; (16)Polarizability: 13.855×10^-24cm³; (17)Surface Tension: 47.025 dyne/cm; (18)Enthalpy of Vaporization: 41.485 kJ/mol; (19)Vapour Pressure: 0.562 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cncc(n1)Br
(2)InChI: InChI=1/C5H5BrN2/c1-4-2-7-3-5(6)8-4/h2-3H,1H3
(3)InChIKey: YEFFNSANFKOYSF-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C5H5BrN2/c1-4-2-7-3-5(6)8-4/h2-3H,1H3
(5)Std. InChIKey: YEFFNSANFKOYSF-UHFFFAOYSA-N

Product Name

2-Bromo-6-methylpyrazine

2-Bromo-6-methylpyrazine Specification

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