CAS No.168123-82-8,7-BROMOPYRIDO[2,3-B]PYRAZINE-2,3(1H,4H)-DIONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	168123-82-8
Name:	7-BROMOPYRIDO[2,3-B]PYRAZINE-2,3(1H,4H)-DIONE
Article Data:	6

Formula:	C₇H₄BrN₃O₂
Molecular Weight:	242.032
Synonyms:	ZINC00225191;
Density:	1.851 g/cm³
Boiling Point:	527 °C at 760 mmHg
Flash Point:	272.5 °C
PSA:	78.61000
LogP:	0.37390

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Specification

The Pyrido[2,3-b]pyrazine-2,3-dione,7-bromo-1,4-dihydro-, with the CAS registry number 168123-82-8, is also known as ZINC00225191. This chemical's molecular formula is C₇H₄BrN₃O₂. Its IUPAC name is called 7-bromo-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.

Physical properties of Pyrido[2,3-b]pyrazine-2,3-dione,7-bromo-1,4-dihydro-: (1)ACD/LogP: -0.37; (2)ACD/LogD (pH 5.5): 2.74; (3)ACD/LogD (pH 7.4): 1.03; (4)ACD/BCF (pH 5.5): 50.07; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 381.69; (7)ACD/KOC (pH 7.4): 7.48; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)Index of Refraction: 1.63; (11)Molar Refractivity: 46.55 cm³; (12)Molar Volume: 130.7 cm³; (13)Surface Tension: 61.3 dyne/cm; (14)Density: 1.851 g/cm³; (15)Flash Point: 272.5 °C; (16)Enthalpy of Vaporization: 83.17 kJ/mol; (17)Boiling Point: 527 °C at 760 mmHg; (18)Vapour Pressure: 1E-11 mmHg at 25°C.

Preparation: this chemical can be prepared by 5-bromo-pyridine-2,3-diamine and oxalic acid by heating. This reaction will need reagent aq.HCl. The reaction time is 16 hours. The yield is about 83%.

Pyrido[2,3-b]pyrazine-2,3-dione,7-bromo-1,4-dihydro- can be prepared by 5-bromo-pyridine-2,3-diamine and oxalic acid

Uses of Pyrido[2,3-b]pyrazine-2,3-dione,7-bromo-1,4-dihydro-: it can be used to produce 7-bromo-5-oxy-1,4-dihydro-pyrido[2,3-b]pyrazine-2,3-dione by heating. This reaction will need reagents m-chloroperbenzoic acid and TFA with reaction time of 15 hours. The yield is about 45%.

Pyrido[2,3-b]pyrazine-2,3-dione,7-bromo-1,4-dihydro- can be used to produce 7-bromo-5-oxy-1,4-dihydro-pyrido[2,3-b]pyrazine-2,3-dione

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C2C(=NC=C1Br)NC(=O)C(=O)N2
(2)InChI: InChI=1S/C7H4BrN3O2/c8-3-1-4-5(9-2-3)11-7(13)6(12)10-4/h1-2H,(H,10,12)(H,9,11,13)
(3)InChIKey: SMQUNTGAPNGDHP-UHFFFAOYSA-N