3-chloro-6-phenylpyridazine

• ChemBase ID: 67103
• Molecular Formular: C10H7ClN2
• Molecular Mass: 190.62898
• Monoisotopic Mass: 190.02977591
• SMILES: c1(ccc(nn1)c1ccccc1)Cl
• Canonical SMILES: Clc1ccc(nn1)c1ccccc1
• InChI: InChI=1S/C10H7ClN2/c11-10-7-6-9(12-13-10)8-4-2-1-3-5-8/h1-7H
• InChIKey: BUBRFWDEAVIFMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-phenylpyridazine
• IUPAC Traditional name: 3-chloro-6-phenylpyridazine
• Synonyms: 3-Chloro-6-phenylpyridazine; (6-Chloropyridazin-3-yl)benzene; 3-Chloro-6-phenyl-1,2-diazine; 3-Chloro-6-phenylpyridazine 97%; 3-Chloro-6-phenylpyridazine; 3-氯-6-苯基哒嗪

Database IDs

• CAS Number: 20375-65-9
• EC Number: 243-772-6
• MDL Number: MFCD00075253
• PubChem SID: 162032839; 24861053
• PubChem CID: 88515

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6330984
• LogD (pH = 7.4): 2.633101
• Log P: 2.633101
• Molar Refractivity: 54.3947 cm^3
• Polarizability: 21.452517 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 157 - 159°C; 159-161 °C(lit.); 159-161°C
• Partition Coefficient: 3.83
• Hydrophobicity(logP): 2.213

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 95+%; 98%
• Empirical Formula (Hill Notation): C10H7ClN2

DETAILS

Sigma Aldrich - 342319

Packaging
1, 5 g in glass bottle