2-chloro-3-hydrazinylpyrazine

• ChemBase ID: 67035
• Molecular Formular: C4H5ClN4
• Molecular Mass: 144.5623
• Monoisotopic Mass: 144.02027386
• SMILES: c1(c(nccn1)NN)Cl
• Canonical SMILES: NNc1nccnc1Cl
• InChI: InChI=1S/C4H5ClN4/c5-3-4(9-6)8-2-1-7-3/h1-2H,6H2,(H,8,9)
• InChIKey: PUUGNIKJWZNTBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-hydrazinylpyrazine
• IUPAC Traditional name: 2-chloro-3-hydrazinylpyrazine
• Synonyms: 3-Chloro-2(H)-pyrazinone hydrazone; 2-Chloro-3-hydrazinopyrazine; (3-Chloropyrazin-2-yl)hydrazine; 2-Chloro-3-hydrazinopyrazine; 2-Chloro-3-hydrazinylpyrazine

Database IDs

• CAS Number: 63286-28-2
• MDL Number: MFCD08272804
• PubChem SID: 162032771
• PubChem CID: 321430

CALCULATED PROPERTIES

• Acid pKa: 16.235434
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.34472138
• LogD (pH = 7.4): 0.3481787
• Log P: 0.34822294
• Molar Refractivity: 37.6305 cm^3
• Polarizability: 13.130086 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 153 - 155°C; 154-159 °C; 154-159°C
• Hydrophobicity(logP): 0.885

Safety Information

• Storage Warning: IRRITANT; Toxic/Harmful/Irritant/Keep Cold/Store under Argon
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41
• Safety Statements: 26-39
• TSCA Listed: false
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H318-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338

Product Information

• Purity: 95%; 95+%; 98%
• Empirical Formula (Hill Notation): C4H5ClN4

DETAILS

Sigma Aldrich - 738964

Packaging
1 g in glass bottle