CAS No.132426-19-8,2-Bromo-1-pyrazin-2-ylethanone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	132426-19-8
Name:	2-Bromo-1-pyrazin-2-ylethanone
Article Data:	6

Formula:	C₆H₅BrN₂O
Molecular Weight:	201.023
Synonyms:	Ethanone,2-bromo-1-pyrazinyl- (9CI);2-(2-Bromoacetyl)pyrazine;2-(Bromoacetyl)pyrazine;2-Bromo-1-pyrazin-2-ylethanone;
Density:	1.667 g/cm³
Boiling Point:	268.956 °C at 760 mmHg
Flash Point:	116.461 °C
PSA:	42.85000
LogP:	1.05420

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Specification

The IUPAC name of Ethanone,2-bromo-1-(2-pyrazinyl)- is 2-bromo-1-pyrazin-2-ylethanone. With the CAS registry number 132426-19-8, it is also named as 2-(2-Bromoacetyl)pyrazine. The product's category is Acetylhalide. In addition, its molecular formula is C₆H₅BrN₂O and its molecular weight is 201.02.

The other characteristics of Ethanone,2-bromo-1-(2-pyrazinyl)- can be summarized as: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.773; (4)ACD/LogD (pH 7.4): 0.773; (5)ACD/BCF (pH 5.5): 2.278; (6)ACD/BCF (pH 7.4): 2.278; (7)ACD/KOC (pH 5.5): 62.75; (8)ACD/KOC (pH 7.4): 62.75; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.85 Å²; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 40.195 cm³; (15)Molar Volume: 120.593 cm³; (16)Polarizability: 15.935×10^-24cm³; (17)Surface Tension: 58.065 dyne/cm; (18)Density: 1.667 g/cm³; (19)Flash Point: 116.461 °C; (20)Enthalpy of Vaporization: 50.706 kJ/mol; (21)Boiling Point: 268.956 °C at 760 mmHg; (22)Vapour Pressure: 0.007 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: c1cnc(cn1)C(=O)CBr
(2)InChI: InChI=1/C6H5BrN2O/c7-3-6(10)5-4-8-1-2-9-5/h1-2,4H,3H2
(3)InChIKey: UJIRAGIEBOAGOA-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6H5BrN2O/c7-3-6(10)5-4-8-1-2-9-5/h1-2,4H,3H2
(5)Std. InChIKey: UJIRAGIEBOAGOA-UHFFFAOYSA-N