pyrazine-2-carbonyl chloride

• ChemBase ID: 64277
• Molecular Formular: C5H3ClN2O
• Molecular Mass: 142.54312
• Monoisotopic Mass: 141.99339041
• SMILES: c1(C(=O)Cl)nccnc1
• Canonical SMILES: ClC(=O)c1cnccn1
• InChI: InChI=1S/C5H3ClN2O/c6-5(9)4-3-7-1-2-8-4/h1-3H
• InChIKey: TXJKATOSKLUITR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrazine-2-carbonyl chloride
• IUPAC Traditional name: pyrazine-2-carbonyl chloride
• Synonyms: Pyrazine-2-carbonyl chloride; 2-Pyrazinecarbonyl chloride; 吡嗪-2-甲酰氯

Database IDs

• CAS Number: 19847-10-0
• EC Number: 243-367-4
• MDL Number: MFCD00792886
• PubChem SID: 162030016
• PubChem CID: 88279

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.114663675
• LogD (pH = 7.4): 0.11466384
• Log P: 0.11466384
• Molar Refractivity: 32.4869 cm^3
• Polarizability: 12.400386 Å^3
• Polar Surface Area: 42.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 90+%; TECH