3-chloro-6-hydrazinylpyridazine

• ChemBase ID: 57479
• Molecular Formular: C4H5ClN4
• Molecular Mass: 144.5623
• Monoisotopic Mass: 144.02027386
• SMILES: n1c(ccc(n1)NN)Cl
• Canonical SMILES: NNc1ccc(nn1)Cl
• InChI: InChI=1S/C4H5ClN4/c5-3-1-2-4(7-6)9-8-3/h1-2H,6H2,(H,7,9)
• InChIKey: FXYQRYGWWZKUFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-hydrazinylpyridazine
• IUPAC Traditional name: 3-chloro-6-hydrazinylpyridazine
• Synonyms: 3-chloro-6-hydrazinylpyridazine; (3-Chloropyridazin-6-yl)hydrazine, tech; 3-Chloro-6-pyridazinyl hydrazine; 3-Chloro-6-hydrazinopyridazine; 3-Chloro-6-hydrazinopyridazine; 3-氯-6-肼基哒嗪

Database IDs

• CAS Number: 17284-97-8
• MDL Number: MFCD00051740
• Beilstein Number: 125591
• PubChem SID: 162062242; 24882497
• PubChem CID: 100787

CALCULATED PROPERTIES

• Acid pKa: 18.056147
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.568404
• LogD (pH = 7.4): 0.585898
• Log P: 0.58612543
• Molar Refractivity: 39.6507 cm^3
• Polarizability: 13.123515 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 134-140°C; 136-138°C; 137-141 °C(lit.)
• Partition Coefficient: 1.081

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-41-43; 36/37/38
• Safety Statements: 26-37; 37/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H317-H318; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C4H5ClN4

DETAILS

Sigma Aldrich - 632619

Packaging
1, 5 g in glass bottle