6-Bromo-2-pyrazinecarboxylic acid methyl ester supplier

Name
Methyl-6-bromopyrazine-2-carboxylate
EINECS
CAS No. 40155-34-8
Density 1.67 g/cm³
Solubility
Melting Point
Formula C₆H₅BrN₂O₂
Boiling Point 268.613 °C at 760 mmHg
Molecular Weight 217.022
Flash Point 116.254 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Pyrazinecarboxylic acid, 6-bromo-, methyl ester;
PSA 52.08000
LogP 1.02570

6-Bromo-2-pyrazinecarboxylic acid methyl ester Specification

The CAS registry number of 6-Bromo-2-pyrazinecarboxylic acid methyl ester is 40155-34-8. This chemical is also named as 2-Pyrazinecarboxylic acid, 6-bromo-, methyl ester. In addition, its molecular formula is C₆H₅BrN₂O₂ and molecular weight is 217.0201. Its systematic name is called methyl 6-bromopyrazine-2-carboxylate.

Physical properties about 6-Bromo-2-pyrazinecarboxylic acid methyl ester are: (1)ACD/LogP: 0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.23; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.775; (8)ACD/KOC (pH 7.4): 31.775; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.558; (13) Molar Refractivity: 41.899 cm³; (14)Molar Volume: 129.958 cm³; (15)Surface Tension: 53.16 dyne/cm; (16)Density: 1.67 g/cm³; (17)Flash Point: 116.254 °C; (18)Enthalpy of Vaporization: 50.67 kJ/mol; (19)Boiling Point: 268.613 °C at 760 mmHg; (20)Vapour Pressure: 0.008 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1cncc(n1)Br
(2)InChI: InChI=1/C6H5BrN2O2/c1-11-6(10)4-2-8-3-5(7)9-4/h2-3H,1H3
(3)InChIKey: LYNSTNYSMCKCSS-UHFFFAOYAT

Product Name

Methyl-6-bromopyrazine-2-carboxylate

6-Bromo-2-pyrazinecarboxylic acid methyl ester Specification

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