(pyrazine-2-carbonyloxy)cuprio pyrazine-2-carboxylate

• ChemBase ID: 145316
• Molecular Formular: C10H6CuN4O4
• Molecular Mass: 309.72504
• Monoisotopic Mass: 308.96850219
• SMILES: c1cnc(cn1)C(=O)O[Cu]OC(=O)c1cnccn1
• Canonical SMILES: O=C(c1nccnc1)O[Cu]OC(=O)c1nccnc1
• InChI: InChI=1S/2C5H4N2O2.Cu/c2*8-5(9)4-3-6-1-2-7-4;/h2*1-3H,(H,8,9);/q;;+2/p-2
• InChIKey: CPDQQOYHCXKRBR-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (pyrazine-2-carbonyloxy)cuprio pyrazine-2-carboxylate
• IUPAC Traditional name: (pyrazine-2-carbonyloxy)cuprio pyrazine-2-carboxylate
• Synonyms: 2-Pyrazinecarboxylic acid copper(II) salt; Copper(II) 2-pyrazinecarboxylate; 2-甲酸吡嗪 铜(II) 盐; 2-吡嗪羧酸铜(II)

Database IDs

• CAS Number: 304656-23-3
• MDL Number: MFCD00064348
• PubChem SID: 162239522; 24858153
• PubChem CID: 4416261

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.8520002
• LogD (pH = 7.4): -1.852
• Log P: -1.852
• Molar Refractivity: 55.4016 cm^3
• Polarizability: 25.11224 Å^3
• Polar Surface Area: 104.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 37/38-41
• Safety Statements: 26-39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C10H6CuN4O4

DETAILS

Sigma Aldrich - 300993

Packaging
5, 25 g in glass bottle