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methyl 5-bromopyrazine-2-carboxylate

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Name

methyl 5-bromopyrazine-2-carboxylate

EINECS N/A
CAS No. 210037-58-4 Density 1.669 g/cm3
PSA 52.08000 LogP 1.02570
Solubility N/A Melting Point N/A
Formula C6H5BrN2O2 Boiling Point 289 °C at 760 mmHg
Molecular Weight 217.022 Flash Point 128.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 210037-58-4 (methyl 5-bromopyrazine-2-carboxylate) Hazard Symbols N/A
Synonyms

Pyrazinecarboxylicacid, 5-bromo-, methyl ester (9CI);Methyl 5-bromopyrazine-2-carboxylate;2-pyrazinecarboxylic acid, 5-bromo-, methyl ester;Methyl 5-bromopyrazine-2-carboxylate;

Article Data 3

methyl 5-bromopyrazine-2-carboxylate Specification

The CAS registry number of methyl 5-bromopyrazine-2-carboxylate is 210037-58-4. The IUPAC name is Methyl 5-bromopyrazine-2-carboxylate. In addition, the molecular formula is C6H5BrN2O2 and the molecular weight is 217.02. It should be stored in the dry and cool environment.

The physical properties of 2-Pyrazinecarboxylicacid, 5-bromo-, methyl ester are as following: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.71; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 2.06; (6)ACD/BCF (pH 7.4): 2.06; (7)ACD/KOC (pH 5.5): 58.33; (8)ACD/KOC (pH 7.4): 58.33; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.08 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 41.89 cm3; (15)Molar Volume: 129.9 cm3; (16)Polarizability: 16.6×10-24cm3; (17)Surface Tension: 53.1 dyne/cm; (18)Density: 1.669 g/cm3; (19)Flash Point: 128.6 °C; (20)Enthalpy of Vaporization: 52.82 kJ/mol; (21)Boiling Point: 289 °C at 760 mmHg; (22)Vapour Pressure: 0.00227 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1cnc(cn1)Br
(2)InChI: InChI=1/C6H5BrN2O2/c1-11-6(10)4-2-9-5(7)3-8-4/h2-3H,1H3
(3)InChIKey: PVTAJWAGBTWOPG-UHFFFAOYAW

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