3,6-dichloropyridazine

• ChemBase ID: 64430
• Molecular Formular: C4H2Cl2N2
• Molecular Mass: 148.97808
• Monoisotopic Mass: 147.95950343
• SMILES: n1nc(Cl)ccc1Cl
• Canonical SMILES: Clc1ccc(nn1)Cl
• InChI: InChI=1S/C4H2Cl2N2/c5-3-1-2-4(6)8-7-3/h1-2H
• InChIKey: GUSWJGOYDXFJSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dichloropyridazine
• IUPAC Traditional name: pyridazine, 3,6-dichloro-
• Synonyms: 3,6-Dichloro-1,2-diazine; 3,6-Dichloropyridazine; 3,6-Dichloropyridazine; 3,6-二氯哒嗪

Database IDs

• CAS Number: 141-30-0
• EC Number: 205-478-6
• MDL Number: MFCD00006466
• Beilstein Number: 111151
• PubChem SID: 24894123; 162030169
• PubChem CID: 67331

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4242471
• LogD (pH = 7.4): 1.4242471
• Log P: 1.4242471
• Molar Refractivity: 35.4966 cm^3
• Polarizability: 12.56423 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 65-69 °C(lit.); 66-70°C; 66-70°C

Safety Information

• Storage Warning: IRRITANT; Toxic/Irritant
• RTECS: UR5886250
• European Hazard Symbols: X; Irritant (Xi)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/22-36/37/38; 36/37/38
• Safety Statements: 26-37/39; 4-9-20-26-36/37-45-60
• TSCA Listed: false; 是
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335; H331-H302-H315-H319-H335
• GHS Precautionary statements: P261-P301 + P310-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 97%; 98%; 99%
• Empirical Formula (Hill Notation): C4H2Cl2N2

DETAILS

MP Biomedicals - 05212958

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D73200

Packaging
25, 100, 500 g in poly bottle